(2E)-N,6,6-Trimethyl-2-hepten-4-yn-1-amine

C₁₀H₁₇NCAS 83554-69-2151.25 g/mol

Open in Covalent MOL file

Alkene Alkyne Secondary amine

Properties

Molecular formula: C₁₀H₁₇N
Molar mass: 151.25 g/mol
Exact mass: 151.1361 Da
Melting point: 163–166 °C
logP: 1.81Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

83554-69-2

SMILES

CNC/C=C/C#CC(C)(C)C

InChIKey

XQRHBYHDDOJZTM-FNORWQNLSA-N

InChI

InChI=1S/C10H17N/c1-10(2,3)8-6-5-7-9-11-4/h5,7,11H,9H2,1-4H3/b7-5+

Weigh it out

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

Names and synonyms

3 names

2-Hepten-4-yn-1-amine,N,6,6-trimethyl-, (2E)-
2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (2E)-
2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)-

Work with (2E)-N,6,6-Trimethyl-2-hepten-4-yn-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

1-Hydroxy-6,6-dimethyl-2-heptene-4-yne114311-70-553 % similar 1-Bromo-6,6-dimethylhept-2-en-4-yne126764-15-653 % similar 1-Chloro-6,6-dimethyl-2-hepten-4-yne126764-17-853 % similar 1-Chloro-6,6-dimethyl-2-hepten-4-yne287471-30-153 % similar (2E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne78629-21-753 % similar Terbinafine91161-71-633 % similar Terbinafine hydrochloride78628-80-531 % similar Methylallylamine627-37-230 % similar

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

Same formula

1-(1-Cyclohexen-1-yl)pyrrolidine1125-99-1 3-tert-Butyl-2,4-dimethyl-1H-pyrrole151464-91-4 Citronellyl nitrile51566-62-2 Amantadine768-94-5

Elsewhere

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