N-benzhydryl-4-methylcyclohexan-1-amine

C20H25N — CID 43079012

IUPACN-benzhydryl-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H25N/c1-16-12-14-19(15-13-16)21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3
InChIKeyKMOVLDVZNTVJRB-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.94
Rot. Bonds4

About N-benzhydryl-4-methylcyclohexan-1-amine

N-benzhydryl-4-methylcyclohexan-1-amine (PubChem CID 43079012) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-benzhydryl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-benzhydryl-4-methylcyclohexan-1-amine
PubChem CID43079012
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-benzhydryl-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H25N/c1-16-12-14-19(15-13-16)21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3
InChIKeyKMOVLDVZNTVJRB-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzhydryl-1-methylpiperidin-4-amine;dihydrochloride
CID 134094585
4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine
CID 167435824
N-benzhydryl-1-ethylpiperidin-4-amine
CID 3821522
4-[(4-methylcyclohexyl)amino]-4-phenylbutan-1-ol
CID 111467264
2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241
N-[4-(benzhydrylamino)cyclohexylidene]hydroxylamine
CID 141139438
N-[(3-methylphenyl)-phenylmethyl]cyclohexanamine
CID 146752027
N-[(2,4-dimethylphenyl)-phenylmethyl]cyclopropanamine
CID 16773686
N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine
CID 64500445
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
N-benzhydryl-4-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 141139435

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-methylcyclohexan-1-amine?
The IUPAC name of N-benzhydryl-4-methylcyclohexan-1-amine (CID 43079012) is N-benzhydryl-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-benzhydryl-4-methylcyclohexan-1-amine?
The canonical SMILES for N-benzhydryl-4-methylcyclohexan-1-amine is CC1CCC(NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzhydryl-4-methylcyclohexan-1-amine?
The InChIKey is KMOVLDVZNTVJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-16-12-14-19(15-13-16)21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3.
What are the key properties of N-benzhydryl-4-methylcyclohexan-1-amine?
N-benzhydryl-4-methylcyclohexan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 43079012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).