N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide

C15H25N3O — CID 77032282

IUPACN'-hydroxy-5-(3-phenylbutylamino)pentanimidamide
SMILESCC(CCNCCCCC(N)=NO)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-13(14-7-3-2-4-8-14)10-12-17-11-6-5-9-15(16)18-19/h2-4,7-8,13,17,19H,5-6,9-12H2,1H3,(H2,16,18)
InChIKeyLYJIEMZOSCLLKO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds9

About N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide

N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide (PubChem CID 77032282) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-phenylbutylamino)pentanimidamide
PubChem CID77032282
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN'-hydroxy-5-(3-phenylbutylamino)pentanimidamide
SMILESCC(CCNCCCCC(N)=NO)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-13(14-7-3-2-4-8-14)10-12-17-11-6-5-9-15(16)18-19/h2-4,7-8,13,17,19H,5-6,9-12H2,1H3,(H2,16,18)
InChIKeyLYJIEMZOSCLLKO-UHFFFAOYSA-N
XLogP2.69
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-(2-phenylpropylamino)propanimidamide
CID 104591633
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
2-[3-(3-phenylbutylamino)propoxy]ethanol
CID 107095408
2,2-dimethyl-4-(3-phenylbutylamino)butanoic acid
CID 122084441
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
5-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxypentanimidamide
CID 81378812
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine
CID 79352188
N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine
CID 55154070

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide (CID 77032282) is N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide is CC(CCNCCCCC(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide?
The InChIKey is LYJIEMZOSCLLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(14-7-3-2-4-8-14)10-12-17-11-6-5-9-15(16)18-19/h2-4,7-8,13,17,19H,5-6,9-12H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide?
N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-phenylbutylamino)pentanimidamide is sourced from PubChem (CID 77032282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).