1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

C20H33N — CID 116544532

IUPAC1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1cccc(CC(C)C)c1)C1CCC(C)(C)CC1
InChIInChI=1S/C20H33N/c1-15(2)13-16-7-6-8-18(14-16)19(21-5)17-9-11-20(3,4)12-10-17/h6-8,14-15,17,19,21H,9-13H2,1-5H3
InChIKeyCUMRBRPFHPMTKK-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.36
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116544532) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116544532
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1cccc(CC(C)C)c1)C1CCC(C)(C)CC1
InChIInChI=1S/C20H33N/c1-15(2)13-16-7-6-8-18(14-16)19(21-5)17-9-11-20(3,4)12-10-17/h6-8,14-15,17,19,21H,9-13H2,1-5H3
InChIKeyCUMRBRPFHPMTKK-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 107191342
(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544530
1-(3-chlorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 65390440
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050622
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722194
N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine
CID 116544690
1-(3-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424185
1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050783
[3-(2-methylpropyl)phenyl]-(4-propan-2-ylcyclohexyl)methanamine
CID 116544545
[(3-ethylcyclopentyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105233681
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (CID 116544532) is 1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is CNC(c1cccc(CC(C)C)c1)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is CUMRBRPFHPMTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-15(2)13-16-7-6-8-18(14-16)19(21-5)17-9-11-20(3,4)12-10-17/h6-8,14-15,17,19,21H,9-13H2,1-5H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 287.49 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116544532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).