5-(1-phenylbutylamino)pentan-1-ol

C15H25NO — CID 113350448

IUPAC5-(1-phenylbutylamino)pentan-1-ol
SMILESCCCC(NCCCCCO)c1ccccc1
InChIInChI=1S/C15H25NO/c1-2-9-15(14-10-5-3-6-11-14)16-12-7-4-8-13-17/h3,5-6,10-11,15-17H,2,4,7-9,12-13H2,1H3
InChIKeyWEIKBVPAQRGSBX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.28
Rot. Bonds9

About 5-(1-phenylbutylamino)pentan-1-ol

5-(1-phenylbutylamino)pentan-1-ol (PubChem CID 113350448) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(1-phenylbutylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(1-phenylbutylamino)pentan-1-ol
PubChem CID113350448
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(1-phenylbutylamino)pentan-1-ol
SMILESCCCC(NCCCCCO)c1ccccc1
InChIInChI=1S/C15H25NO/c1-2-9-15(14-10-5-3-6-11-14)16-12-7-4-8-13-17/h3,5-6,10-11,15-17H,2,4,7-9,12-13H2,1H3
InChIKeyWEIKBVPAQRGSBX-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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

5-(1-phenylpropylamino)pentan-1-ol
CID 62305220
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-pentyl-1-phenyldecan-1-amine
CID 10380274
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylbutylamino)pentan-1-ol?
The IUPAC name of 5-(1-phenylbutylamino)pentan-1-ol (CID 113350448) is 5-(1-phenylbutylamino)pentan-1-ol.
What is the SMILES notation for 5-(1-phenylbutylamino)pentan-1-ol?
The canonical SMILES for 5-(1-phenylbutylamino)pentan-1-ol is CCCC(NCCCCCO)c1ccccc1.
What is the InChIKey of 5-(1-phenylbutylamino)pentan-1-ol?
The InChIKey is WEIKBVPAQRGSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-9-15(14-10-5-3-6-11-14)16-12-7-4-8-13-17/h3,5-6,10-11,15-17H,2,4,7-9,12-13H2,1H3.
What are the key properties of 5-(1-phenylbutylamino)pentan-1-ol?
5-(1-phenylbutylamino)pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylbutylamino)pentan-1-ol is sourced from PubChem (CID 113350448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).