N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine

C20H27N — CID 146383246

IUPACN-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1(c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C20H27N/c1-2-14-21-16-20(12-6-3-7-13-20)19-11-10-17-8-4-5-9-18(17)15-19/h4-5,8-11,15,21H,2-3,6-7,12-14,16H2,1H3
InChIKeyZTWAVWJKOKCKGK-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.04
Rot. Bonds5

About N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine

N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine (PubChem CID 146383246) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine
PubChem CID146383246
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1(c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C20H27N/c1-2-14-21-16-20(12-6-3-7-13-20)19-11-10-17-8-4-5-9-18(17)15-19/h4-5,8-11,15,21H,2-3,6-7,12-14,16H2,1H3
InChIKeyZTWAVWJKOKCKGK-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.04
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

N-methyl-1-(1-naphthalen-2-ylcyclobutyl)methanamine
CID 116963684
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
N-[[1-(3,4-dichlorophenyl)cyclopentyl]methyl]propan-1-amine
CID 63511575
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methyl]propan-1-amine
CID 62596277
N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine
CID 116870558
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
1-(1-naphthalen-2-ylcyclohexyl)propan-1-amine
CID 91217269
N-[[1-(2,4-dichlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 63517640
4-(methylaminomethyl)-4-naphthalen-2-ylcyclohexan-1-ol
CID 68675435
4-(1-naphthalen-2-ylcyclobutyl)butan-1-amine;hydrochloride
CID 69399060
N-[[1-(3-fluorophenyl)cycloheptyl]methyl]-2-methoxyethanamine
CID 62596617

Frequently Asked Questions

What is the IUPAC name of N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine (CID 146383246) is N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine is CCCNCC1(c2ccc3ccccc3c2)CCCCC1.
What is the InChIKey of N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine?
The InChIKey is ZTWAVWJKOKCKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-2-14-21-16-20(12-6-3-7-13-20)19-11-10-17-8-4-5-9-18(17)15-19/h4-5,8-11,15,21H,2-3,6-7,12-14,16H2,1H3.
What are the key properties of N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine?
N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-naphthalen-2-ylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 146383246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).