3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine

C20H27N — CID 81430295

IUPAC3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
SMILESCc1ccc2ccccc2c1C(N)CCC1CCCCC1
InChIInChI=1S/C20H27N/c1-15-11-13-17-9-5-6-10-18(17)20(15)19(21)14-12-16-7-3-2-4-8-16/h5-6,9-11,13,16,19H,2-4,7-8,12,14,21H2,1H3
InChIKeyQVXWHIKWWPSHTA-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.51
Rot. Bonds4

About 3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine

3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine (PubChem CID 81430295) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
PubChem CID81430295
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
SMILESCc1ccc2ccccc2c1C(N)CCC1CCCCC1
InChIInChI=1S/C20H27N/c1-15-11-13-17-9-5-6-10-18(17)20(15)19(21)14-12-16-7-3-2-4-8-16/h5-6,9-11,13,16,19H,2-4,7-8,12,14,21H2,1H3
InChIKeyQVXWHIKWWPSHTA-UHFFFAOYSA-N
XLogP5.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-N-methyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429025
1-[bromo(cyclohexyl)methyl]-2-methylnaphthalene
CID 81432915
3-cyclopentyl-1-naphthalen-2-ylpropan-1-amine
CID 115851068
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
2-cyclopentyl-N-ethyl-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81429431
3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 114248905
(1-methylcyclopentyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81432883
(3-cyclohexyl-1-naphthalen-1-ylpropyl)hydrazine
CID 105301235
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine
CID 81431572
1-(1-bromo-2-cyclopropylethyl)-2-methylnaphthalene
CID 81432823
[3-cyclohexyl-1-(2-methylphenyl)propyl]hydrazine
CID 105286051

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine?
The IUPAC name of 3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine (CID 81430295) is 3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine?
The canonical SMILES for 3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine is Cc1ccc2ccccc2c1C(N)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine?
The InChIKey is QVXWHIKWWPSHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-15-11-13-17-9-5-6-10-18(17)20(15)19(21)14-12-16-7-3-2-4-8-16/h5-6,9-11,13,16,19H,2-4,7-8,12,14,21H2,1H3.
What are the key properties of 3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine?
3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-methylnaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 81430295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).