1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine

C20H27N — CID 64738647

IUPAC1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCNC(c1cccc2ccccc12)C1CCC(C)C(C)C1
InChIInChI=1S/C20H27N/c1-14-11-12-17(13-15(14)2)20(21-3)19-10-6-8-16-7-4-5-9-18(16)19/h4-10,14-15,17,20-21H,11-13H2,1-3H3
InChIKeyIWYMBQGXPIUPNN-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.17
Rot. Bonds3

About 1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine

1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine (PubChem CID 64738647) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
PubChem CID64738647
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
SMILESCNC(c1cccc2ccccc12)C1CCC(C)C(C)C1
InChIInChI=1S/C20H27N/c1-14-11-12-17(13-15(14)2)20(21-3)19-10-6-8-16-7-4-5-9-18(16)19/h4-10,14-15,17,20-21H,11-13H2,1-3H3
InChIKeyIWYMBQGXPIUPNN-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 105154541
1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 104989351
1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65415186
1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 65411220
1-(2-ethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 63862559
1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 64740235
N-methyl-1-naphthalen-1-yl-1-piperidin-2-ylmethanamine
CID 116951227
1-(2-bromo-3,4-difluorophenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
CID 107539161
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 79966450
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
1-cycloheptyl-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136425

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine (CID 64738647) is 1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine is CNC(c1cccc2ccccc12)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine?
The InChIKey is IWYMBQGXPIUPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-14-11-12-17(13-15(14)2)20(21-3)19-10-6-8-16-7-4-5-9-18(16)19/h4-10,14-15,17,20-21H,11-13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine?
1-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.17, 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-naphthalen-1-ylmethanamine is sourced from PubChem (CID 64738647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).