N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine

C26H47N — CID 142282271

IUPACN-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine
SMILESCCCCCC1CCC(C2CCC(/C=C/C3CCC(NC)CC3)CC2)CC1
InChIInChI=1S/C26H47N/c1-3-4-5-6-21-9-15-24(16-10-21)25-17-11-22(12-18-25)7-8-23-13-19-26(27-2)20-14-23/h7-8,21-27H,3-6,9-20H2,1-2H3/b8-7+
InChIKeyBIYSVESYHWMJHU-BQYQJAHWSA-N
MW373.67 g/mol
LogP7.51
Rot. Bonds8

About N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine

N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine (PubChem CID 142282271) has the molecular formula C26H47N and a molecular weight of 373.67 g/mol. Its IUPAC name is N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine
PubChem CID142282271
Molecular FormulaC26H47N
Molecular Weight373.67 g/mol
Exact Mass373.37
IUPAC NameN-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine
SMILESCCCCCC1CCC(C2CCC(/C=C/C3CCC(NC)CC3)CC2)CC1
InChIInChI=1S/C26H47N/c1-3-4-5-6-21-9-15-24(16-10-21)25-17-11-22(12-18-25)7-8-23-13-19-26(27-2)20-14-23/h7-8,21-27H,3-6,9-20H2,1-2H3/b8-7+
InChIKeyBIYSVESYHWMJHU-BQYQJAHWSA-N
XLogP7.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,7-dimethyloct-6-enyl)adamantan-2-amine
CID 155522234
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 131968619
6-cyclohexyl-4-(4-fluorocyclohexyl)-2-propan-2-yl-3-[(E)-prop-1-enyl]piperidine
CID 140422236
N-methyl-4-[4-[4-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclohexyl]cyclohexan-1-amine
CID 144809478
2-[(E)-2-[4-[4-(4-fluoro-4-methylcyclohexyl)pentan-2-yl]cyclohexyl]ethenyl]azepane
CID 174019882
4-[[4-[[(4R)-4-isopropenylcyclohexen-1-yl]methylamino]-2-methyl-cyclohexyl]methyl]-3-methyl-cyclohexanamine
CID 6480538
4-[[4-[[(4R)-4-isopropenylcyclohexen-1-yl]methylamino]cyclohexyl]methyl]cyclohexanamine
CID 6480545
4-[[4-[[(4E)-1,5,9-trimethyldeca-4,8-dienyl]amino]cyclohexyl]methyl]cyclohexanamine
CID 6480547
4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexanamine
CID 6480564
3-methyl-4-[[2-methyl-4-[[(4E)-1,5,9-trimethyldeca-4,8-dienyl]amino]cyclohexyl]methyl]cyclohexanamine
CID 6483670
2,7-Methanonaphthalen-3-amine, 1,2,3,4,4a,7,8,8a-octahydro-N-methyl-, (2alpha,3alpha,4abeta,7alpha,8abeta)-
CID 546597

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine (CID 142282271) is N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine is CCCCCC1CCC(C2CCC(/C=C/C3CCC(NC)CC3)CC2)CC1.
What is the InChIKey of N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine?
The InChIKey is BIYSVESYHWMJHU-BQYQJAHWSA-N. The full InChI is InChI=1S/C26H47N/c1-3-4-5-6-21-9-15-24(16-10-21)25-17-11-22(12-18-25)7-8-23-13-19-26(27-2)20-14-23/h7-8,21-27H,3-6,9-20H2,1-2H3/b8-7+.
What are the key properties of N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine?
N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine has a molecular weight of 373.67 g/mol, XLogP of 7.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]cyclohexan-1-amine is sourced from PubChem (CID 142282271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).