3,7-Dipropyl-3,7-diazabicyclo(3.3.1)nonane

C₁₃H₂₆N₂CAS 909037-18-9210.36 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₆N₂
Molar mass: 210.36 g/mol
Exact mass: 210.2096 Da
logP: 2.06Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

909037-18-9

SMILES

CCCN1CC2CC(C1)CN(C2)CCC

InChIKey

VYWAELGYEIUVKY-UHFFFAOYSA-N

InChI

InChI=1S/C13H26N2/c1-3-5-14-8-12-7-13(9-14)11-15(10-12)6-4-2/h12-13H,3-11H2,1-2H3

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Names and synonyms

1 names

3,7-Dipropyl-3,7-diazabicyclo[3.3.1]nonane

Work with 3,7-Dipropyl-3,7-diazabicyclo(3.3.1)nonane

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

1-Propylazetidin-3-ol1340301-52-154 % similar Tripropylamine102-69-253 % similar 1-Propylpiperidin-4-amine42389-59-341 % similar 1-Propylpiperazine21867-64-140 % similar Tris(2-ethylhexyl)amine1860-26-039 % similar N,N,N′,N′-Tetrakis(2-hydroxypentyl)ethylenediamine86443-82-539 % similar 1-[2-(Dipropylamino)ethyl]piperazine496808-01-638 % similar 1-Propyl-4-piperidone23133-37-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,4′-Trimethylenedipiperidine16898-52-5 4,4′-Diaminodicyclohexylmethane1761-71-3

Elsewhere

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