5-(4-butylanilino)pentan-1-ol

C15H25NO — CID 62228069

IUPAC5-(4-butylanilino)pentan-1-ol
SMILESCCCCc1ccc(NCCCCCO)cc1
InChIInChI=1S/C15H25NO/c1-2-3-7-14-8-10-15(11-9-14)16-12-5-4-6-13-17/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeyHJIIJZLCYHFNLX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.60
Rot. Bonds9

About 5-(4-butylanilino)pentan-1-ol

5-(4-butylanilino)pentan-1-ol (PubChem CID 62228069) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(4-butylanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(4-butylanilino)pentan-1-ol
PubChem CID62228069
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(4-butylanilino)pentan-1-ol
SMILESCCCCc1ccc(NCCCCCO)cc1
InChIInChI=1S/C15H25NO/c1-2-3-7-14-8-10-15(11-9-14)16-12-5-4-6-13-17/h8-11,16-17H,2-7,12-13H2,1H3
InChIKeyHJIIJZLCYHFNLX-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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

6-(4-propylanilino)hexan-1-ol
CID 103868001
2-[4-(pentadecylamino)phenyl]ethanol
CID 20525862
5-[4-(2-hydroxyethyl)anilino]pentan-1-ol
CID 83962274
5-[4-(methoxymethyl)anilino]pentan-1-ol
CID 83961071
4-(2-chloroethyl)-N-pentylaniline
CID 65023933
4-[(4-nonylphenyl)methylamino]butan-1-ol
CID 70951495
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
N-[4-(4-butylanilino)butyl]-2-methylpropane-2-sulfonamide
CID 70938800
4-(chloromethyl)-N-hexylaniline
CID 65025803
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
4-(4-propylsulfonylanilino)butan-1-ol
CID 106842632
methyl 4-(4-hexylanilino)butanoate
CID 142177665

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylanilino)pentan-1-ol?
The IUPAC name of 5-(4-butylanilino)pentan-1-ol (CID 62228069) is 5-(4-butylanilino)pentan-1-ol.
What is the SMILES notation for 5-(4-butylanilino)pentan-1-ol?
The canonical SMILES for 5-(4-butylanilino)pentan-1-ol is CCCCc1ccc(NCCCCCO)cc1.
What is the InChIKey of 5-(4-butylanilino)pentan-1-ol?
The InChIKey is HJIIJZLCYHFNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-7-14-8-10-15(11-9-14)16-12-5-4-6-13-17/h8-11,16-17H,2-7,12-13H2,1H3.
What are the key properties of 5-(4-butylanilino)pentan-1-ol?
5-(4-butylanilino)pentan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylanilino)pentan-1-ol is sourced from PubChem (CID 62228069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).