[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine

C17H27N — CID 65390376

IUPAC[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
SMILESCc1cccc(CC2(CN)CCC(C)(C)CC2)c1
InChIInChI=1S/C17H27N/c1-14-5-4-6-15(11-14)12-17(13-18)9-7-16(2,3)8-10-17/h4-6,11H,7-10,12-13,18H2,1-3H3
InChIKeyWTUNCPBSPTUALL-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.08
Rot. Bonds3

About [4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine

[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine (PubChem CID 65390376) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is [4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
PubChem CID65390376
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
SMILESCc1cccc(CC2(CN)CCC(C)(C)CC2)c1
InChIInChI=1S/C17H27N/c1-14-5-4-6-15(11-14)12-17(13-18)9-7-16(2,3)8-10-17/h4-6,11H,7-10,12-13,18H2,1-3H3
InChIKeyWTUNCPBSPTUALL-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65085894
[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105410611
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 115267710
[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82401788
2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 81314321
[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 114349742
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine (CID 65390376) is [4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine is Cc1cccc(CC2(CN)CCC(C)(C)CC2)c1.
What is the InChIKey of [4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine?
The InChIKey is WTUNCPBSPTUALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-5-4-6-15(11-14)12-17(13-18)9-7-16(2,3)8-10-17/h4-6,11H,7-10,12-13,18H2,1-3H3.
What are the key properties of [4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine?
[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 65390376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).