N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine

C20H36N2 — CID 135234115

IUPACN-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine
SMILES[H]/N=C(\C)C1CCC(N/C(=C\CC)CC(C)/C=C\C(C)C)CC1
InChIInChI=1S/C20H36N2/c1-6-7-20(14-16(4)9-8-15(2)3)22-19-12-10-18(11-13-19)17(5)21/h7-9,15-16,18-19,21-22H,6,10-14H2,1-5H3/b9-8-,20-7-,21-17+
InChIKeyPREJHBBPKKHYMN-GUJYKEBASA-N
MW304.52 g/mol
LogP5.71
Rot. Bonds8

About N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine

N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine (PubChem CID 135234115) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine
PubChem CID135234115
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC NameN-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine
SMILES[H]/N=C(\C)C1CCC(N/C(=C\CC)CC(C)/C=C\C(C)C)CC1
InChIInChI=1S/C20H36N2/c1-6-7-20(14-16(4)9-8-15(2)3)22-19-12-10-18(11-13-19)17(5)21/h7-9,15-16,18-19,21-22H,6,10-14H2,1-5H3/b9-8-,20-7-,21-17+
InChIKeyPREJHBBPKKHYMN-GUJYKEBASA-N
XLogP5.71
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine?
The IUPAC name of N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine (CID 135234115) is N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine.
What is the SMILES notation for N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine?
The canonical SMILES for N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine is [H]/N=C(\C)C1CCC(N/C(=C\CC)CC(C)/C=C\C(C)C)CC1.
What is the InChIKey of N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine?
The InChIKey is PREJHBBPKKHYMN-GUJYKEBASA-N. The full InChI is InChI=1S/C20H36N2/c1-6-7-20(14-16(4)9-8-15(2)3)22-19-12-10-18(11-13-19)17(5)21/h7-9,15-16,18-19,21-22H,6,10-14H2,1-5H3/b9-8-,20-7-,21-17+.
What are the key properties of N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine?
N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine has a molecular weight of 304.52 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,7Z)-6,9-dimethyldeca-3,7-dien-4-yl]-4-ethanimidoylcyclohexan-1-amine is sourced from PubChem (CID 135234115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).