2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine

C17H25N — CID 114605834

IUPAC2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1cccc(C2CCC2)c1
InChIInChI=1S/C17H25N/c1-18-17-11-3-2-10-16(17)15-9-5-8-14(12-15)13-6-4-7-13/h5,8-9,12-13,16-18H,2-4,6-7,10-11H2,1H3
InChIKeyGUWWIDYDEPGGAC-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.20
Rot. Bonds3

About 2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine

2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine (PubChem CID 114605834) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine
PubChem CID114605834
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1c1cccc(C2CCC2)c1
InChIInChI=1S/C17H25N/c1-18-17-11-3-2-10-16(17)15-9-5-8-14(12-15)13-6-4-7-13/h5,8-9,12-13,16-18H,2-4,6-7,10-11H2,1H3
InChIKeyGUWWIDYDEPGGAC-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
2-(3-cyclobutylphenyl)cycloheptan-1-ol
CID 114605746
cis-(1S,2S)-N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 94869351
3-cyclohexyl-N-methylaniline
CID 116962420
2-(3,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62801123
2-(4-fluoro-3-methylphenyl)-N-methylcycloheptan-1-amine
CID 62801613
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
2-(4-bromophenyl)-N-methylcycloheptan-1-amine
CID 82249332
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylcyclohexan-1-amine
CID 62801780
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
CID 107290018
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine
CID 107290013
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclopentan-1-amine
CID 104544129

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine (CID 114605834) is 2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine is CNC1CCCCC1c1cccc(C2CCC2)c1.
What is the InChIKey of 2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine?
The InChIKey is GUWWIDYDEPGGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-18-17-11-3-2-10-16(17)15-9-5-8-14(12-15)13-6-4-7-13/h5,8-9,12-13,16-18H,2-4,6-7,10-11H2,1H3.
What are the key properties of 2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine?
2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutylphenyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 114605834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).