5-(1-naphthalen-2-ylethylamino)pentan-1-ol

C17H23NO — CID 103912661

IUPAC5-(1-naphthalen-2-ylethylamino)pentan-1-ol
SMILESCC(NCCCCCO)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-14(18-11-5-2-6-12-19)16-10-9-15-7-3-4-8-17(15)13-16/h3-4,7-10,13-14,18-19H,2,5-6,11-12H2,1H3
InChIKeyVQYGNWAIJSAGRU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.65
Rot. Bonds7

About 5-(1-naphthalen-2-ylethylamino)pentan-1-ol

5-(1-naphthalen-2-ylethylamino)pentan-1-ol (PubChem CID 103912661) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-(1-naphthalen-2-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(1-naphthalen-2-ylethylamino)pentan-1-ol
PubChem CID103912661
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name5-(1-naphthalen-2-ylethylamino)pentan-1-ol
SMILESCC(NCCCCCO)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-14(18-11-5-2-6-12-19)16-10-9-15-7-3-4-8-17(15)13-16/h3-4,7-10,13-14,18-19H,2,5-6,11-12H2,1H3
InChIKeyVQYGNWAIJSAGRU-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
4-[1-(6-methoxynaphthalen-2-yl)ethylamino]butan-1-ol
CID 106840515
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118
5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine
CID 82941427
2-(1-naphthalen-2-ylethylamino)ethylurea
CID 83111282
5-[[(1S)-1-(4-bromophenyl)ethyl]amino]pentan-1-ol
CID 81360207
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672

Frequently Asked Questions

What is the IUPAC name of 5-(1-naphthalen-2-ylethylamino)pentan-1-ol?
The IUPAC name of 5-(1-naphthalen-2-ylethylamino)pentan-1-ol (CID 103912661) is 5-(1-naphthalen-2-ylethylamino)pentan-1-ol.
What is the SMILES notation for 5-(1-naphthalen-2-ylethylamino)pentan-1-ol?
The canonical SMILES for 5-(1-naphthalen-2-ylethylamino)pentan-1-ol is CC(NCCCCCO)c1ccc2ccccc2c1.
What is the InChIKey of 5-(1-naphthalen-2-ylethylamino)pentan-1-ol?
The InChIKey is VQYGNWAIJSAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14(18-11-5-2-6-12-19)16-10-9-15-7-3-4-8-17(15)13-16/h3-4,7-10,13-14,18-19H,2,5-6,11-12H2,1H3.
What are the key properties of 5-(1-naphthalen-2-ylethylamino)pentan-1-ol?
5-(1-naphthalen-2-ylethylamino)pentan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-naphthalen-2-ylethylamino)pentan-1-ol is sourced from PubChem (CID 103912661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).