2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine

C17H31N — CID 106180008

IUPAC2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C17H31N/c1-14(2)12-13-18-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h12,15-18H,3-11,13H2,1-2H3
InChIKeyQIBSAGKMCLFNCY-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.68
Rot. Bonds4

About 2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine

2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine (PubChem CID 106180008) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
PubChem CID106180008
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C17H31N/c1-14(2)12-13-18-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h12,15-18H,3-11,13H2,1-2H3
InChIKeyQIBSAGKMCLFNCY-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-methylbut-2-enyl)cycloheptan-1-amine
CID 104926955
N-(2-bromoprop-2-enyl)-2-cyclohexylcyclohexan-1-amine
CID 113464984
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine
CID 107900207
(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
CID 113349396
2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106365327
2-cyclohexyl-N-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 63452484
2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine
CID 103522734
N-(3-methylbut-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934180
N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
CID 146209039
2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103605044
N'-(2-cyclohexylcyclohexyl)ethane-1,2-diamine
CID 60889120

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine (CID 106180008) is 2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine is CC(C)=CCNC1CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The InChIKey is QIBSAGKMCLFNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-14(2)12-13-18-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h12,15-18H,3-11,13H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 106180008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).