2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine

C20H33N — CID 63509928

IUPAC2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(c2ccc(C(C)C)cc2)CCCCC1
InChIInChI=1S/C20H33N/c1-16(2)14-21-15-20(12-6-5-7-13-20)19-10-8-18(9-11-19)17(3)4/h8-11,16-17,21H,5-7,12-15H2,1-4H3
InChIKeyIEAIVCNPYSJAOC-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.26
Rot. Bonds6

About 2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine

2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 63509928) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
PubChem CID63509928
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(c2ccc(C(C)C)cc2)CCCCC1
InChIInChI=1S/C20H33N/c1-16(2)14-21-15-20(12-6-5-7-13-20)19-10-8-18(9-11-19)17(3)4/h8-11,16-17,21H,5-7,12-15H2,1-4H3
InChIKeyIEAIVCNPYSJAOC-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 63509925
N-[[1-(4-propan-2-ylphenyl)cycloheptyl]methyl]cyclopropanamine
CID 63512101
2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 80522632
1-[1-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzene
CID 82083786
[1-(4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 28937935
2-methyl-N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516825
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524
2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine
CID 80523825
1-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119780045
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55091372
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine (CID 63509928) is 2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine is CC(C)CNCC1(c2ccc(C(C)C)cc2)CCCCC1.
What is the InChIKey of 2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is IEAIVCNPYSJAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-16(2)14-21-15-20(12-6-5-7-13-20)19-10-8-18(9-11-19)17(3)4/h8-11,16-17,21H,5-7,12-15H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63509928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).