(1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine

C24H44N2 — CID 144585646

IUPAC(1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine
SMILESCCN(C)C1=C(CC/C=C(\C)CCC=C(C)C)CCC[C@H]1N(CC)CC
InChIInChI=1S/C24H44N2/c1-8-25(7)24-22(18-13-19-23(24)26(9-2)10-3)17-12-16-21(6)15-11-14-20(4)5/h14,16,23H,8-13,15,17-19H2,1-7H3/b21-16+/t23-/m1/s1
InChIKeyGBNKJJWXCAWREO-BTZCDPCDSA-N
MW360.63 g/mol
LogP6.56
Rot. Bonds11

About (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine

(1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine (PubChem CID 144585646) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine.

Molecular Properties

Compound Name(1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine
PubChem CID144585646
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC Name(1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine
SMILESCCN(C)C1=C(CC/C=C(\C)CCC=C(C)C)CCC[C@H]1N(CC)CC
InChIInChI=1S/C24H44N2/c1-8-25(7)24-22(18-13-19-23(24)26(9-2)10-3)17-12-16-21(6)15-11-14-20(4)5/h14,16,23H,8-13,15,17-19H2,1-7H3/b21-16+/t23-/m1/s1
InChIKeyGBNKJJWXCAWREO-BTZCDPCDSA-N
XLogP6.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine 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 (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine?
The IUPAC name of (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine (CID 144585646) is (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine.
What is the SMILES notation for (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine?
The canonical SMILES for (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine is CCN(C)C1=C(CC/C=C(\C)CCC=C(C)C)CCC[C@H]1N(CC)CC.
What is the InChIKey of (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine?
The InChIKey is GBNKJJWXCAWREO-BTZCDPCDSA-N. The full InChI is InChI=1S/C24H44N2/c1-8-25(7)24-22(18-13-19-23(24)26(9-2)10-3)17-12-16-21(6)15-11-14-20(4)5/h14,16,23H,8-13,15,17-19H2,1-7H3/b21-16+/t23-/m1/s1.
What are the key properties of (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine?
(1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine has a molecular weight of 360.63 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-N,1-N,2-N-triethyl-2-N-methylcyclohex-2-ene-1,2-diamine is sourced from PubChem (CID 144585646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).