1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine

C16H25N — CID 81031001

IUPAC1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1ccccc1
InChIInChI=1S/C16H25N/c1-16(2)10-9-14(12-17-3)15(11-16)13-7-5-4-6-8-13/h4-8,14-15,17H,9-12H2,1-3H3
InChIKeyRQEKOPDYXADGIS-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.82
Rot. Bonds3

About 1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine

1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine (PubChem CID 81031001) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
PubChem CID81031001
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1ccccc1
InChIInChI=1S/C16H25N/c1-16(2)10-9-14(12-17-3)15(11-16)13-7-5-4-6-8-13/h4-8,14-15,17H,9-12H2,1-3H3
InChIKeyRQEKOPDYXADGIS-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
CID 81021876
1-(4,4-dimethyl-2-naphthalen-1-ylcyclohexyl)-N-methylmethanamine
CID 81021877
1-[2-(3-ethoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030403
1-[2-(3-cyclopropyloxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114523600
1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
CID 81030852
[(1S,2R)-5,5-dimethyl-2-prop-2-enylcyclohexyl]benzene
CID 173403307
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81021879
1-[2-(3-fluoro-4-methoxyphenyl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030407
1-[4,4-dimethyl-2-(3-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
CID 81030626
N-[[2-(4-ethoxyphenyl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 81022966
N-[[2-(3-chlorophenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030568
1-[4,4-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexyl]-N-methylmethanamine
CID 106784571

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine (CID 81031001) is 1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine is CNCC1CCC(C)(C)CC1c1ccccc1.
What is the InChIKey of 1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine?
The InChIKey is RQEKOPDYXADGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2)10-9-14(12-17-3)15(11-16)13-7-5-4-6-8-13/h4-8,14-15,17H,9-12H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine?
1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine has a molecular weight of 231.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2-phenylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 81031001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).