(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol

C₂₅H₄₅NO — CID 142141543

About (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol

(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol (PubChem CID 142141543) has the molecular formula C₂₅H₄₅NO and a molecular weight of 375.64 g/mol. Its IUPAC name is (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol.

Molecular Properties

• Compound Name: (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol
• PubChem CID: 142141543
• Molecular Formula: C₂₅H₄₅NO
• Molecular Weight: 375.64 g/mol
• Exact Mass: 375.35
• IUPAC Name: (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol
• SMILES: C=C(C)C(CC(C)C)NC(CO)CC(CC)C/C=C(\C)C1=CCC(C)CC1
• InChI: InChI=1S/C25H45NO/c1-8-22(12-11-21(7)23-13-9-20(6)10-14-23)16-24(17-27)26-25(19(4)5)15-18(2)3/h11,13,18,20,22,24-27H,4,8-10,12,14-17H2,1-3,5-7H3/b21-11+
• InChIKey: CZSXUQDEJKGNNE-SRZZPIQSSA-N
• XLogP: 6.43
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.64
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol?

The IUPAC name of (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol (CID 142141543) is (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol.

What is the SMILES notation for (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol?

The canonical SMILES for (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol is C=C(C)C(CC(C)C)NC(CO)CC(CC)C/C=C(\C)C1=CCC(C)CC1.

What is the InChIKey of (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol?

The InChIKey is CZSXUQDEJKGNNE-SRZZPIQSSA-N. The full InChI is InChI=1S/C25H45NO/c1-8-22(12-11-21(7)23-13-9-20(6)10-14-23)16-24(17-27)26-25(19(4)5)15-18(2)3/h11,13,18,20,22,24-27H,4,8-10,12,14-17H2,1-3,5-7H3/b21-11+.

What are the key properties of (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol?

(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol has a molecular weight of 375.64 g/mol, XLogP of 6.43, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol is sourced from PubChem (CID 142141543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142141543 — identifiers, structure, computed properties (public domain)

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