3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine

C18H29N — CID 107875909

IUPAC3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
SMILESCC1CCCC(NCC(c2ccccc2)C(C)C)C1
InChIInChI=1S/C18H29N/c1-14(2)18(16-9-5-4-6-10-16)13-19-17-11-7-8-15(3)12-17/h4-6,9-10,14-15,17-19H,7-8,11-13H2,1-3H3
InChIKeyHAWZSMJKGDBRNI-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.59
Rot. Bonds5

About 3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine

3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine (PubChem CID 107875909) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
PubChem CID107875909
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
SMILESCC1CCCC(NCC(c2ccccc2)C(C)C)C1
InChIInChI=1S/C18H29N/c1-14(2)18(16-9-5-4-6-10-16)13-19-17-11-7-8-15(3)12-17/h4-6,9-10,14-15,17-19H,7-8,11-13H2,1-3H3
InChIKeyHAWZSMJKGDBRNI-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876205
3-ethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876207
3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile
CID 64538839
N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
CID 114011794
3,3-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876320
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043729
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
CID 114547176
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
2-[[(1R,3S)-3-methylcyclohexyl]amino]-1-phenylethanone
CID 122534357
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopropan-1-amine
CID 107876110

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine (CID 107875909) is 3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine is CC1CCCC(NCC(c2ccccc2)C(C)C)C1.
What is the InChIKey of 3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
The InChIKey is HAWZSMJKGDBRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)18(16-9-5-4-6-10-16)13-19-17-11-7-8-15(3)12-17/h4-6,9-10,14-15,17-19H,7-8,11-13H2,1-3H3.
What are the key properties of 3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine?
3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 107875909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).