(4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine

C32H50N2 — CID 174021174

IUPAC(4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine
SMILESC=C/C(=C\C=C(\C)CC)C(C)CC(N)C1C=CC=C1C/C(=C\C=C/C=N/C)C(CC)C(C)CC
InChIInChI=1S/C32H50N2/c1-9-24(5)19-20-27(11-3)26(7)22-32(33)31-18-15-17-29(31)23-28(16-13-14-21-34-8)30(12-4)25(6)10-2/h11,13-21,25-26,30-32H,3,9-10,12,22-23,33H2,1-2,4-8H3/b14-13-,24-19-,27-20+,28-16+,34-21+
InChIKeySAMJDIVGMGVJPZ-UCCUJWFRSA-N
MW462.77 g/mol
LogP8.57
Rot. Bonds15

About (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine

(4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine (PubChem CID 174021174) has the molecular formula C32H50N2 and a molecular weight of 462.77 g/mol. Its IUPAC name is (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine
PubChem CID174021174
Molecular FormulaC32H50N2
Molecular Weight462.77 g/mol
Exact Mass462.40
IUPAC Name(4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine
SMILESC=C/C(=C\C=C(\C)CC)C(C)CC(N)C1C=CC=C1C/C(=C\C=C/C=N/C)C(CC)C(C)CC
InChIInChI=1S/C32H50N2/c1-9-24(5)19-20-27(11-3)26(7)22-32(33)31-18-15-17-29(31)23-28(16-13-14-21-34-8)30(12-4)25(6)10-2/h11,13-21,25-26,30-32H,3,9-10,12,22-23,33H2,1-2,4-8H3/b14-13-,24-19-,27-20+,28-16+,34-21+
InChIKeySAMJDIVGMGVJPZ-UCCUJWFRSA-N
XLogP8.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.77
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine?
The IUPAC name of (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine (CID 174021174) is (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine.
What is the SMILES notation for (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine?
The canonical SMILES for (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine is C=C/C(=C\C=C(\C)CC)C(C)CC(N)C1C=CC=C1C/C(=C\C=C/C=N/C)C(CC)C(C)CC.
What is the InChIKey of (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine?
The InChIKey is SAMJDIVGMGVJPZ-UCCUJWFRSA-N. The full InChI is InChI=1S/C32H50N2/c1-9-24(5)19-20-27(11-3)26(7)22-32(33)31-18-15-17-29(31)23-28(16-13-14-21-34-8)30(12-4)25(6)10-2/h11,13-21,25-26,30-32H,3,9-10,12,22-23,33H2,1-2,4-8H3/b14-13-,24-19-,27-20+,28-16+,34-21+.
What are the key properties of (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine?
(4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine has a molecular weight of 462.77 g/mol, XLogP of 8.57, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-ethenyl-3,7-dimethyl-1-[2-[(2E,4Z)-2-(4-methylhexan-3-yl)-6-methyliminohexa-2,4-dienyl]cyclopenta-2,4-dien-1-yl]nona-4,6-dien-1-amine is sourced from PubChem (CID 174021174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).