3-(Azepan-1-yl)propan-1-amine

C₉H₂₀N₂CAS 3437-33-0156.27 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₉H₂₀N₂
Molar mass: 156.27 g/mol
Exact mass: 156.1626 Da
logP: 1.21Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

3437-33-0

SMILES

C1CCCN(CC1)CCCN

InChIKey

FXTRRLIESPAUHT-UHFFFAOYSA-N

InChI

InChI=1S/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Azepan-1-yl-propylamine

Work with 3-(Azepan-1-yl)propan-1-amine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Piperidine-1-propylamine3529-08-6100 % similar 1-Pyrrolidinepropanamine23159-07-193 % similar 4-(Pyrrolidin-1-yl)butan-1-amine24715-90-081 % similar 1,4-Bis(3′-aminopropyl)piperazine7209-38-381 % similar 1-Piperidineethanamine27578-60-576 % similar N,N-Bis(3-aminopropyl)dodecylamine2372-82-971 % similar 1-Pyrrolidineethanamine7154-73-671 % similar N1,N1-Dibutyl-1,3-propanediamine102-83-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3-Aminopropyl)-2-pipecoline25560-00-3 N-Cyclohexyl-1,3-propanediamine3312-60-5 4-Amino-2,2,6,6-tetramethylpiperidine36768-62-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook