ethane;(Z)-3-ethenyliminopent-1-en-1-amine

C9H18N2 — CID 143588496

IUPACethane;(Z)-3-ethenyliminopent-1-en-1-amine
SMILESC=C/N=C(/C=C\N)CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-7(5-6-8)9-4-2;1-2/h4-6H,2-3,8H2,1H3;1-2H3/b6-5-,9-7+;
InChIKeyNTYLJHHYXGKPCU-HMERWLGPSA-N
MW154.26 g/mol
LogP2.48
Rot. Bonds3

About ethane;(Z)-3-ethenyliminopent-1-en-1-amine

ethane;(Z)-3-ethenyliminopent-1-en-1-amine (PubChem CID 143588496) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(Z)-3-ethenyliminopent-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-3-ethenyliminopent-1-en-1-amine
PubChem CID143588496
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(Z)-3-ethenyliminopent-1-en-1-amine
SMILESC=C/N=C(/C=C\N)CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-3-7(5-6-8)9-4-2;1-2/h4-6H,2-3,8H2,1H3;1-2H3/b6-5-,9-7+;
InChIKeyNTYLJHHYXGKPCU-HMERWLGPSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(Z)-3-ethenyliminopent-1-en-1-amine 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

(Z)-3-(1,1-difluoropropan-2-ylimino)pent-1-en-1-amine
CID 168935644
(Z)-3-(2,2-difluoroethylimino)pent-1-en-1-amine
CID 168936282
4-Amino-2-methyliminobut-3-enimidoyl fluoride
CID 174114701
(1z,3z)-3-(Isobutylimino)but-1-en-1-amine
CID 166001507
2-[[(Z)-4-aminobut-3-en-2-ylidene]amino]acetonitrile
CID 59932316
2-Methylpyridine-3,4-diimine
CID 68113813
(Z)-3-ethenyliminobut-1-en-1-amine
CID 87419799
(Z)-2-(but-3-en-2-ylideneamino)ethenamine
CID 88558951
(Z)-3-N-methyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 88570472
(Z)-3-ethenylimino-4-methylpent-1-en-1-amine
CID 88880427
N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 88892313
(Z)-2-(pent-1-en-3-ylideneamino)ethenamine
CID 88936606

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3-ethenyliminopent-1-en-1-amine?
The IUPAC name of ethane;(Z)-3-ethenyliminopent-1-en-1-amine (CID 143588496) is ethane;(Z)-3-ethenyliminopent-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-3-ethenyliminopent-1-en-1-amine?
The canonical SMILES for ethane;(Z)-3-ethenyliminopent-1-en-1-amine is C=C/N=C(/C=C\N)CC.CC.
What is the InChIKey of ethane;(Z)-3-ethenyliminopent-1-en-1-amine?
The InChIKey is NTYLJHHYXGKPCU-HMERWLGPSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-7(5-6-8)9-4-2;1-2/h4-6H,2-3,8H2,1H3;1-2H3/b6-5-,9-7+;.
What are the key properties of ethane;(Z)-3-ethenyliminopent-1-en-1-amine?
ethane;(Z)-3-ethenyliminopent-1-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3-ethenyliminopent-1-en-1-amine is sourced from PubChem (CID 143588496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).