(2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine

C34H61N — CID 89258108

About (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine

(2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine (PubChem CID 89258108) has the molecular formula C34H61N and a molecular weight of 483.87 g/mol. Its IUPAC name is (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine.

Molecular Properties

• Compound Name: (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine
• PubChem CID: 89258108
• Molecular Formula: C34H61N
• Molecular Weight: 483.87 g/mol
• Exact Mass: 483.48
• IUPAC Name: (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine
• SMILES: C=C/C(C)=C(\C=C/C)CN(C/C=C/CCC)CCC1CC1C(CCC)C(C)(CC(C)(C)C)C(C)C
• InChI: InChI=1S/C34H61N/c1-12-16-17-18-22-35(25-30(19-13-2)28(7)15-4)23-21-29-24-31(29)32(20-14-3)34(11,27(5)6)26-33(8,9)10/h13,15,17-19,27,29,31-32H,4,12,14,16,20-26H2,1-3,5-11H3/b18-17+,19-13-,30-28+
• InChIKey: HCZDJJKJTYTBLY-JWNVEVAGSA-N
• XLogP: 10.26
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 17
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.87
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine?

The IUPAC name of (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine (CID 89258108) is (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine.

What is the SMILES notation for (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine?

The canonical SMILES for (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine is C=C/C(C)=C(\C=C/C)CN(C/C=C/CCC)CCC1CC1C(CCC)C(C)(CC(C)(C)C)C(C)C.

What is the InChIKey of (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine?

The InChIKey is HCZDJJKJTYTBLY-JWNVEVAGSA-N. The full InChI is InChI=1S/C34H61N/c1-12-16-17-18-22-35(25-30(19-13-2)28(7)15-4)23-21-29-24-31(29)32(20-14-3)34(11,27(5)6)26-33(8,9)10/h13,15,17-19,27,29,31-32H,4,12,14,16,20-26H2,1-3,5-11H3/b18-17+,19-13-,30-28+.

What are the key properties of (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine?

(2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine has a molecular weight of 483.87 g/mol, XLogP of 10.26, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-N-[(E)-hex-2-enyl]-3-methyl-2-[(Z)-prop-1-enyl]-N-[2-[2-(5,7,7-trimethyl-5-propan-2-yloctan-4-yl)cyclopropyl]ethyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 89258108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).