(Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine

C12H19N — CID 143889150

IUPAC(Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine
SMILESCCCC#C/C(=C\C=N\C)CCC
InChIInChI=1S/C12H19N/c1-4-6-7-9-12(8-5-2)10-11-13-3/h10-11H,4-6,8H2,1-3H3/b12-10-,13-11+
InChIKeyHZEAYJZTUGXSNV-PJABCKPXSA-N
MW177.29 g/mol
LogP3.22
Rot. Bonds4

About (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine

(Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine (PubChem CID 143889150) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine
PubChem CID143889150
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine
SMILESCCCC#C/C(=C\C=N\C)CCC
InChIInChI=1S/C12H19N/c1-4-6-7-9-12(8-5-2)10-11-13-3/h10-11H,4-6,8H2,1-3H3/b12-10-,13-11+
InChIKeyHZEAYJZTUGXSNV-PJABCKPXSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
CID 135079077
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
(2E,6E)-N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine
CID 60138462
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 60138467
N-butyl-3,7,11-trimethyldodeca-2,6,10-trien-1-imine
CID 72660168
N-butyl-3,7-dimethylocta-2,6-dien-1-imine
CID 72660173
N,3-dimethylhex-2-en-1-imine
CID 73829296
2-ethyl-N-methylhex-2-en-1-imine
CID 86125258
(E)-N-ethyl-3-methylpent-2-en-1-imine
CID 89570012
3-ethyl-N-methylpent-2-en-1-imine
CID 91211205
(Z)-N,2-dimethylhept-2-en-1-imine
CID 91465477

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine?
The IUPAC name of (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine (CID 143889150) is (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine.
What is the SMILES notation for (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine?
The canonical SMILES for (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine is CCCC#C/C(=C\C=N\C)CCC.
What is the InChIKey of (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine?
The InChIKey is HZEAYJZTUGXSNV-PJABCKPXSA-N. The full InChI is InChI=1S/C12H19N/c1-4-6-7-9-12(8-5-2)10-11-13-3/h10-11H,4-6,8H2,1-3H3/b12-10-,13-11+.
What are the key properties of (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine?
(Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-propyloct-2-en-4-yn-1-imine is sourced from PubChem (CID 143889150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).