(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine

C20H34N2 — CID 163230457

IUPAC(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine
SMILESC/C=C/C=C/N=C/C(C)=C\CCN(CC)CCC1CCCC1
InChIInChI=1S/C20H34N2/c1-4-6-9-15-21-18-19(3)11-10-16-22(5-2)17-14-20-12-7-8-13-20/h4,6,9,11,15,18,20H,5,7-8,10,12-14,16-17H2,1-3H3/b6-4+,15-9+,19-11-,21-18+
InChIKeyJSFHYLGRMQDPPY-KJBGPQPUSA-N
MW302.51 g/mol
LogP5.39
Rot. Bonds10

About (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine

(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine (PubChem CID 163230457) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine
PubChem CID163230457
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine
SMILESC/C=C/C=C/N=C/C(C)=C\CCN(CC)CCC1CCCC1
InChIInChI=1S/C20H34N2/c1-4-6-9-15-21-18-19(3)11-10-16-22(5-2)17-14-20-12-7-8-13-20/h4,6,9,11,15,18,20H,5,7-8,10,12-14,16-17H2,1-3H3/b6-4+,15-9+,19-11-,21-18+
InChIKeyJSFHYLGRMQDPPY-KJBGPQPUSA-N
XLogP5.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-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

[2-[1-(Dimethylamino)ethenyl]-3,4-dimethylhex-2-enylidene]-propyl-[1-(2,3,4-trimethylcyclopentyl)ethenyl]azanium
CID 91801880
(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine;ethane
CID 163230456

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine?
The IUPAC name of (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine (CID 163230457) is (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine.
What is the SMILES notation for (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine?
The canonical SMILES for (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine is C/C=C/C=C/N=C/C(C)=C\CCN(CC)CCC1CCCC1.
What is the InChIKey of (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine?
The InChIKey is JSFHYLGRMQDPPY-KJBGPQPUSA-N. The full InChI is InChI=1S/C20H34N2/c1-4-6-9-15-21-18-19(3)11-10-16-22(5-2)17-14-20-12-7-8-13-20/h4,6,9,11,15,18,20H,5,7-8,10,12-14,16-17H2,1-3H3/b6-4+,15-9+,19-11-,21-18+.
What are the key properties of (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine?
(Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine has a molecular weight of 302.51 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-cyclopentylethyl)-N-ethyl-4-methyl-5-[(1E,3E)-penta-1,3-dienyl]iminopent-3-en-1-amine is sourced from PubChem (CID 163230457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).