2-methyl-5-(3-phenylpropylamino)pentan-1-ol

C15H25NO — CID 114151635

IUPAC2-methyl-5-(3-phenylpropylamino)pentan-1-ol
SMILESCC(CO)CCCNCCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-14(13-17)7-5-11-16-12-6-10-15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3
InChIKeyNOJDDKTUHODYTK-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.62
Rot. Bonds9

About 2-methyl-5-(3-phenylpropylamino)pentan-1-ol

2-methyl-5-(3-phenylpropylamino)pentan-1-ol (PubChem CID 114151635) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-5-(3-phenylpropylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-(3-phenylpropylamino)pentan-1-ol
PubChem CID114151635
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-5-(3-phenylpropylamino)pentan-1-ol
SMILESCC(CO)CCCNCCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-14(13-17)7-5-11-16-12-6-10-15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3
InChIKeyNOJDDKTUHODYTK-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.62
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

2-(3-phenylpropylamino)ethanol
CID 19012091
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
N-benzyl-2-methyl-5-phenylpentan-1-amine
CID 19048188
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine
CID 114333309
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
5-[(3-bromophenyl)methylamino]-2-methylpentan-1-ol
CID 103859555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-phenylpropylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-(3-phenylpropylamino)pentan-1-ol (CID 114151635) is 2-methyl-5-(3-phenylpropylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-(3-phenylpropylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-(3-phenylpropylamino)pentan-1-ol is CC(CO)CCCNCCCc1ccccc1.
What is the InChIKey of 2-methyl-5-(3-phenylpropylamino)pentan-1-ol?
The InChIKey is NOJDDKTUHODYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(13-17)7-5-11-16-12-6-10-15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3.
What are the key properties of 2-methyl-5-(3-phenylpropylamino)pentan-1-ol?
2-methyl-5-(3-phenylpropylamino)pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-phenylpropylamino)pentan-1-ol is sourced from PubChem (CID 114151635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).