4-(1-phenylbutylamino)pentanal

C15H23NO — CID 174525536

IUPAC4-(1-phenylbutylamino)pentanal
SMILESCCCC(NC(C)CCC=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-8-15(14-10-5-4-6-11-14)16-13(2)9-7-12-17/h4-6,10-13,15-16H,3,7-9H2,1-2H3
InChIKeyGUKZPUGBFYYSRB-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.48
Rot. Bonds8

About 4-(1-phenylbutylamino)pentanal

4-(1-phenylbutylamino)pentanal (PubChem CID 174525536) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-(1-phenylbutylamino)pentanal.

Molecular Properties

Compound Name4-(1-phenylbutylamino)pentanal
PubChem CID174525536
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name4-(1-phenylbutylamino)pentanal
SMILESCCCC(NC(C)CCC=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-8-15(14-10-5-4-6-11-14)16-13(2)9-7-12-17/h4-6,10-13,15-16H,3,7-9H2,1-2H3
InChIKeyGUKZPUGBFYYSRB-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
N-(1-phenylpentyl)octan-2-amine
CID 43791089
N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
CID 102868679
2-(1-phenylbutylamino)propanamide
CID 43401102
N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine
CID 63462583
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
4-(butan-2-ylamino)-4-phenylbutanoic acid
CID 79694517
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylbutylamino)pentanal?
The IUPAC name of 4-(1-phenylbutylamino)pentanal (CID 174525536) is 4-(1-phenylbutylamino)pentanal.
What is the SMILES notation for 4-(1-phenylbutylamino)pentanal?
The canonical SMILES for 4-(1-phenylbutylamino)pentanal is CCCC(NC(C)CCC=O)c1ccccc1.
What is the InChIKey of 4-(1-phenylbutylamino)pentanal?
The InChIKey is GUKZPUGBFYYSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-8-15(14-10-5-4-6-11-14)16-13(2)9-7-12-17/h4-6,10-13,15-16H,3,7-9H2,1-2H3.
What are the key properties of 4-(1-phenylbutylamino)pentanal?
4-(1-phenylbutylamino)pentanal has a molecular weight of 233.36 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylbutylamino)pentanal is sourced from PubChem (CID 174525536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).