5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine

C20H33N — CID 64766425

IUPAC5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CCC1C(C)(C)c1cccc(C)c1
InChIInChI=1S/C20H33N/c1-6-12-21-19-14-16(3)10-11-18(19)20(4,5)17-9-7-8-15(2)13-17/h7-9,13,16,18-19,21H,6,10-12,14H2,1-5H3
InChIKeyJTZKLNYCHSKMBR-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.08
Rot. Bonds5

About 5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine

5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine (PubChem CID 64766425) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine
PubChem CID64766425
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CCC1C(C)(C)c1cccc(C)c1
InChIInChI=1S/C20H33N/c1-6-12-21-19-14-16(3)10-11-18(19)20(4,5)17-9-7-8-15(2)13-17/h7-9,13,16,18-19,21H,6,10-12,14H2,1-5H3
InChIKeyJTZKLNYCHSKMBR-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-propyl-2-(2-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
CID 65102404
1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-3-methylbenzene
CID 64767244
N-ethyl-5-methyl-2-[2-(4-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 64767391
5-methyl-2-[2-(4-methyl-3-pyridinyl)propan-2-yl]-N-propylcyclohexan-1-amine
CID 66272759
2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 64766100
2-[2-(3-fluoro-5-methylphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 79705337
3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]-5-methylpyridin-2-amine
CID 64766235
2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
CID 64761505
4-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-1,2-dimethylbenzene
CID 64767241
4-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-1,2-dimethylbenzene
CID 64767076
3-[2-[2-(ethylamino)-4-methylcyclohexyl]propan-2-yl]pyridin-2-amine
CID 64767305
2-(2,5-dimethylhexan-2-yl)-5-methyl-N-propylcyclohexan-1-amine
CID 64766423

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine?
The IUPAC name of 5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine (CID 64766425) is 5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine is CCCNC1CC(C)CCC1C(C)(C)c1cccc(C)c1.
What is the InChIKey of 5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine?
The InChIKey is JTZKLNYCHSKMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-12-21-19-14-16(3)10-11-18(19)20(4,5)17-9-7-8-15(2)13-17/h7-9,13,16,18-19,21H,6,10-12,14H2,1-5H3.
What are the key properties of 5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine?
5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(3-methylphenyl)propan-2-yl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64766425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).