1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine

C17H27N — CID 64740235

IUPAC1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)C1CCC(C)C(C)C1
InChIInChI=1S/C17H27N/c1-12-5-8-15(9-6-12)17(18-4)16-10-7-13(2)14(3)11-16/h5-6,8-9,13-14,16-18H,7,10-11H2,1-4H3
InChIKeyUWCORVMNSCWZFQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.33
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine

1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 64740235) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID64740235
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)C1CCC(C)C(C)C1
InChIInChI=1S/C17H27N/c1-12-5-8-15(9-6-12)17(18-4)16-10-7-13(2)14(3)11-16/h5-6,8-9,13-14,16-18H,7,10-11H2,1-4H3
InChIKeyUWCORVMNSCWZFQ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-methyl-1-(2-methylcyclopropyl)-1-(4-methylphenyl)methanamine
CID 43481824
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 104989112
3-[methylamino-(4-methylphenyl)methyl]cyclobutan-1-amine
CID 116952387
1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 104989351
1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 64738647
1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374258
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552
1-(2-bromo-3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 107539161
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(3,4-dimethylcyclohexyl)-pyridin-4-ylmethyl]ethanamine
CID 64738432
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine (CID 64740235) is 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is UWCORVMNSCWZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12-5-8-15(9-6-12)17(18-4)16-10-7-13(2)14(3)11-16/h5-6,8-9,13-14,16-18H,7,10-11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine?
1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 64740235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).