N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine

C20H29N — CID 166642930

IUPACN-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
SMILESCCCCCCCCN[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C20H29N/c1-3-4-5-6-7-10-15-21-17(2)19-14-13-18-11-8-9-12-20(18)16-19/h8-9,11-14,16-17,21H,3-7,10,15H2,1-2H3/t17-/m1/s1
InChIKeyBJMWRFPABLRIGM-QGZVFWFLSA-N
MW283.46 g/mol
LogP5.85
Rot. Bonds9

About N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine

N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine (PubChem CID 166642930) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
PubChem CID166642930
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC NameN-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
SMILESCCCCCCCCN[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C20H29N/c1-3-4-5-6-7-10-15-21-17(2)19-14-13-18-11-8-9-12-20(18)16-19/h8-9,11-14,16-17,21H,3-7,10,15H2,1-2H3/t17-/m1/s1
InChIKeyBJMWRFPABLRIGM-QGZVFWFLSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine
CID 82941427
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 82313385
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine?
The IUPAC name of N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine (CID 166642930) is N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine is CCCCCCCCN[C@H](C)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine?
The InChIKey is BJMWRFPABLRIGM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N/c1-3-4-5-6-7-10-15-21-17(2)19-14-13-18-11-8-9-12-20(18)16-19/h8-9,11-14,16-17,21H,3-7,10,15H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine?
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine is sourced from PubChem (CID 166642930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).