(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine

C12H22N2 — CID 89095963

IUPAC(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine
SMILESC/C=C\C(CNCC1CC1C)=N/CC
InChIInChI=1S/C12H22N2/c1-4-6-12(14-5-2)9-13-8-11-7-10(11)3/h4,6,10-11,13H,5,7-9H2,1-3H3/b6-4-,14-12+
InChIKeyGNOBRSCAWHKKDG-FXKWXDEYSA-N
MW194.32 g/mol
LogP2.27
Rot. Bonds6

About (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine

(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine (PubChem CID 89095963) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine
PubChem CID89095963
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine
SMILESC/C=C\C(CNCC1CC1C)=N/CC
InChIInChI=1S/C12H22N2/c1-4-6-12(14-5-2)9-13-8-11-7-10(11)3/h4,6,10-11,13H,5,7-9H2,1-3H3/b6-4-,14-12+
InChIKeyGNOBRSCAWHKKDG-FXKWXDEYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-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

1-(3-cyclopropyl-2H-pyrrol-5-yl)-N-methylmethanamine
CID 58398129
7-(1-Amino-3-methylbutyl)iminooct-5-en-1-amine
CID 123446462
(E)-6-(C,N-dimethylcarbonimidoyl)-N'-ethyl-5-imino-N-methyl-2-[(Z)-prop-1-enyl]hept-3-ene-1,7-diamine
CID 132038459
N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine
CID 147040996
(E)-2-ethenyl-N-(2-iminobut-3-enyl)hex-4-en-1-amine
CID 155015228
(2E)-2-[(3-methyl-2,3-dihydropyridin-6-yl)methylidene]-N-(2-methylidenecyclopropyl)cyclopentan-1-amine
CID 164165030
(Z)-N,3-diethyl-2-methyliminopent-3-en-1-amine
CID 169648011
1-Cyclopropyl-3-(piperidin-4-ylmethylimino)but-1-en-1-amine
CID 174288057
4-(2-methylpropylimino)-N-propylpent-2-en-1-amine
CID 175434015
N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine;molecular hydrogen
CID 177244016
(3Z,5Z,7Z)-3-ethyl-N-methyl-9-methyliminodeca-3,5,7-trien-1-amine
CID 143205122
N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine
CID 177244017

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine?
The IUPAC name of (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine (CID 89095963) is (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine?
The canonical SMILES for (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine is C/C=C\C(CNCC1CC1C)=N/CC.
What is the InChIKey of (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine?
The InChIKey is GNOBRSCAWHKKDG-FXKWXDEYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-12(14-5-2)9-13-8-11-7-10(11)3/h4,6,10-11,13H,5,7-9H2,1-3H3/b6-4-,14-12+.
What are the key properties of (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine?
(Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylimino-N-[(2-methylcyclopropyl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 89095963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).