3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine

C20H33N — CID 105050635

IUPAC3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine
SMILESCNC(CCC1CCCCC1)c1cccc(CC(C)C)c1
InChIInChI=1S/C20H33N/c1-16(2)14-18-10-7-11-19(15-18)20(21-3)13-12-17-8-5-4-6-9-17/h7,10-11,15-17,20-21H,4-6,8-9,12-14H2,1-3H3
InChIKeyFQAHFVJAXJLLJP-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.51
Rot. Bonds7

About 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine

3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine (PubChem CID 105050635) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine
PubChem CID105050635
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine
SMILESCNC(CCC1CCCCC1)c1cccc(CC(C)C)c1
InChIInChI=1S/C20H33N/c1-16(2)14-18-10-7-11-19(15-18)20(21-3)13-12-17-8-5-4-6-9-17/h7,10-11,15-17,20-21H,4-6,8-9,12-14H2,1-3H3
InChIKeyFQAHFVJAXJLLJP-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene
CID 154060470
2-cycloheptyl-1-(3-ethylphenyl)-N-methylethanamine
CID 105018546
N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
CID 105050603
2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 103547251
3-cyclopentyl-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 43484696
3-cyclopentyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 43480658
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine?
The IUPAC name of 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine (CID 105050635) is 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine is CNC(CCC1CCCCC1)c1cccc(CC(C)C)c1.
What is the InChIKey of 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine?
The InChIKey is FQAHFVJAXJLLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-16(2)14-18-10-7-11-19(15-18)20(21-3)13-12-17-8-5-4-6-9-17/h7,10-11,15-17,20-21H,4-6,8-9,12-14H2,1-3H3.
What are the key properties of 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine?
3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine is sourced from PubChem (CID 105050635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).