(2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine

C25H41N3 — CID 166685330

IUPAC(2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine
SMILESC=NC(/C(CC(C)(C)CC(/C=C\C)=C/C=C/C1CCCCC1)=N\CC)=C(/C)N
InChIInChI=1S/C25H41N3/c1-7-13-22(17-12-16-21-14-10-9-11-15-21)18-25(4,5)19-23(28-8-2)24(27-6)20(3)26/h7,12-13,16-17,21H,6,8-11,14-15,18-19,26H2,1-5H3/b13-7-,16-12+,22-17+,24-20-,28-23-
InChIKeyIUQVJVYUVBLVAS-ZVJWRBIPSA-N
MW383.62 g/mol
LogP6.78
Rot. Bonds10

About (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine

(2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine (PubChem CID 166685330) has the molecular formula C25H41N3 and a molecular weight of 383.62 g/mol. Its IUPAC name is (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine.

Molecular Properties

Compound Name(2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine
PubChem CID166685330
Molecular FormulaC25H41N3
Molecular Weight383.62 g/mol
Exact Mass383.33
IUPAC Name(2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine
SMILESC=NC(/C(CC(C)(C)CC(/C=C\C)=C/C=C/C1CCCCC1)=N\CC)=C(/C)N
InChIInChI=1S/C25H41N3/c1-7-13-22(17-12-16-21-14-10-9-11-15-21)18-25(4,5)19-23(28-8-2)24(27-6)20(3)26/h7,12-13,16-17,21H,6,8-11,14-15,18-19,26H2,1-5H3/b13-7-,16-12+,22-17+,24-20-,28-23-
InChIKeyIUQVJVYUVBLVAS-ZVJWRBIPSA-N
XLogP6.78
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine?
The IUPAC name of (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine (CID 166685330) is (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine.
What is the SMILES notation for (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine?
The canonical SMILES for (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine is C=NC(/C(CC(C)(C)CC(/C=C\C)=C/C=C/C1CCCCC1)=N\CC)=C(/C)N.
What is the InChIKey of (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine?
The InChIKey is IUQVJVYUVBLVAS-ZVJWRBIPSA-N. The full InChI is InChI=1S/C25H41N3/c1-7-13-22(17-12-16-21-14-10-9-11-15-21)18-25(4,5)19-23(28-8-2)24(27-6)20(3)26/h7,12-13,16-17,21H,6,8-11,14-15,18-19,26H2,1-5H3/b13-7-,16-12+,22-17+,24-20-,28-23-.
What are the key properties of (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine?
(2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine has a molecular weight of 383.62 g/mol, XLogP of 6.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,8Z,10E)-11-cyclohexyl-4-ethylimino-6,6-dimethyl-3-(methylideneamino)-8-[(Z)-prop-1-enyl]undeca-2,8,10-trien-2-amine is sourced from PubChem (CID 166685330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).