(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine

C14H25N3 — CID 144588383

IUPAC(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine
SMILES[H]/N=C/C(=C\CC)/C(=C\NC)C(C)N(C)C1CC1
InChIInChI=1S/C14H25N3/c1-5-6-12(9-15)14(10-16-3)11(2)17(4)13-7-8-13/h6,9-11,13,15-16H,5,7-8H2,1-4H3/b12-6+,14-10-,15-9+
InChIKeyWCBOQCAYNDIVNU-WNCUJEHGSA-N
MW235.38 g/mol
LogP2.56
Rot. Bonds7

About (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine

(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine (PubChem CID 144588383) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine
PubChem CID144588383
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine
SMILES[H]/N=C/C(=C\CC)/C(=C\NC)C(C)N(C)C1CC1
InChIInChI=1S/C14H25N3/c1-5-6-12(9-15)14(10-16-3)11(2)17(4)13-7-8-13/h6,9-11,13,15-16H,5,7-8H2,1-4H3/b12-6+,14-10-,15-9+
InChIKeyWCBOQCAYNDIVNU-WNCUJEHGSA-N
XLogP2.56
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine 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

3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
(1E,3E)-3-N-cyclopropyl-2-methanimidoylpenta-1,3-diene-1,3,4-triamine
CID 142514401
(1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine
CID 143291579
(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N-methylbut-1-ene-1,3-diamine
CID 144588465
(Z)-2-(2-methyl-1,2-dihydropyridin-3-yl)pent-2-en-1-imine
CID 145691680
N-ethyl-1-[(3Z)-3-ethylidene-4-methyl-1,2-dihydropyrrol-2-yl]methanimine
CID 166818446
3-Methyl-2-[[5-[(pentylamino)methyl]cyclohexa-2,4-dien-1-yl]iminomethyl]buta-1,3-dien-1-amine
CID 173764803
(Z)-2-(7-ethyl-2-methyl-2,7-dihydro-1H-azepin-4-yl)-3-methyliminoprop-1-en-1-amine
CID 170634272

Frequently Asked Questions

What is the IUPAC name of (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine?
The IUPAC name of (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine (CID 144588383) is (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine.
What is the SMILES notation for (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine?
The canonical SMILES for (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine is [H]/N=C/C(=C\CC)/C(=C\NC)C(C)N(C)C1CC1.
What is the InChIKey of (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine?
The InChIKey is WCBOQCAYNDIVNU-WNCUJEHGSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-6-12(9-15)14(10-16-3)11(2)17(4)13-7-8-13/h6,9-11,13,15-16H,5,7-8H2,1-4H3/b12-6+,14-10-,15-9+.
What are the key properties of (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine?
(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine is sourced from PubChem (CID 144588383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).