4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine

C29H51N — CID 126728993

IUPAC4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine
SMILESC=C/C=C\CCC(C)N(C)C1CCC(C2CCC(CCC/C=C\CC)CC2C)CC1
InChIInChI=1S/C29H51N/c1-6-8-10-12-14-16-26-17-22-29(24(3)23-26)27-18-20-28(21-19-27)30(5)25(4)15-13-11-9-7-2/h7-11,24-29H,2,6,12-23H2,1,3-5H3/b10-8-,11-9-
InChIKeyAMKBOEREFQNSDG-WGEIWTTOSA-N
MW413.73 g/mol
LogP8.58
Rot. Bonds12

About 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine

4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine (PubChem CID 126728993) has the molecular formula C29H51N and a molecular weight of 413.73 g/mol. Its IUPAC name is 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine
PubChem CID126728993
Molecular FormulaC29H51N
Molecular Weight413.73 g/mol
Exact Mass413.40
IUPAC Name4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine
SMILESC=C/C=C\CCC(C)N(C)C1CCC(C2CCC(CCC/C=C\CC)CC2C)CC1
InChIInChI=1S/C29H51N/c1-6-8-10-12-14-16-26-17-22-29(24(3)23-26)27-18-20-28(21-19-27)30(5)25(4)15-13-11-9-7-2/h7-11,24-29H,2,6,12-23H2,1,3-5H3/b10-8-,11-9-
InChIKeyAMKBOEREFQNSDG-WGEIWTTOSA-N
XLogP8.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine 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 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine (CID 126728993) is 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine is C=C/C=C\CCC(C)N(C)C1CCC(C2CCC(CCC/C=C\CC)CC2C)CC1.
What is the InChIKey of 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine?
The InChIKey is AMKBOEREFQNSDG-WGEIWTTOSA-N. The full InChI is InChI=1S/C29H51N/c1-6-8-10-12-14-16-26-17-22-29(24(3)23-26)27-18-20-28(21-19-27)30(5)25(4)15-13-11-9-7-2/h7-11,24-29H,2,6,12-23H2,1,3-5H3/b10-8-,11-9-.
What are the key properties of 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine?
4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine has a molecular weight of 413.73 g/mol, XLogP of 8.58, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(Z)-hept-4-enyl]-2-methylcyclohexyl]-N-methyl-N-[(5Z)-octa-5,7-dien-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 126728993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).