3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine

C22H31N — CID 58581915

IUPAC3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
SMILESCC1CCCC(CCCN[C@H](C)c2cccc3ccccc23)C1
InChIInChI=1S/C22H31N/c1-17-8-5-9-19(16-17)10-7-15-23-18(2)21-14-6-12-20-11-3-4-13-22(20)21/h3-4,6,11-14,17-19,23H,5,7-10,15-16H2,1-2H3/t17?,18-,19?/m1/s1
InChIKeyHAUABQXISJDTDR-JLAWEPINSA-N
MW309.50 g/mol
LogP6.10
Rot. Bonds6

About 3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine

3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine (PubChem CID 58581915) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
PubChem CID58581915
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
SMILESCC1CCCC(CCCN[C@H](C)c2cccc3ccccc23)C1
InChIInChI=1S/C22H31N/c1-17-8-5-9-19(16-17)10-7-15-23-18(2)21-14-6-12-20-11-3-4-13-22(20)21/h3-4,6,11-14,17-19,23H,5,7-10,15-16H2,1-2H3/t17?,18-,19?/m1/s1
InChIKeyHAUABQXISJDTDR-JLAWEPINSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine
CID 159716794
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
N-[(2-methylcyclopropyl)methyl]-1-naphthalen-1-ylethanamine
CID 115676380
(1S)-1-(2-methoxyphenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81397121
N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 71020754
N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
The IUPAC name of 3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine (CID 58581915) is 3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine.
What is the SMILES notation for 3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
The canonical SMILES for 3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine is CC1CCCC(CCCN[C@H](C)c2cccc3ccccc23)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
The InChIKey is HAUABQXISJDTDR-JLAWEPINSA-N. The full InChI is InChI=1S/C22H31N/c1-17-8-5-9-19(16-17)10-7-15-23-18(2)21-14-6-12-20-11-3-4-13-22(20)21/h3-4,6,11-14,17-19,23H,5,7-10,15-16H2,1-2H3/t17?,18-,19?/m1/s1.
What are the key properties of 3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine is sourced from PubChem (CID 58581915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).