N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide

C14H23N3O2 — CID 107317928

IUPACN'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
SMILESN/C(CC(NCCCCCO)c1ccccc1)=N/O
InChIInChI=1S/C14H23N3O2/c15-14(17-19)11-13(12-7-3-1-4-8-12)16-9-5-2-6-10-18/h1,3-4,7-8,13,16,18-19H,2,5-6,9-11H2,(H2,15,17)
InChIKeyXJISFDYUFDKXEV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.62
Rot. Bonds9

About N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide

N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide (PubChem CID 107317928) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
PubChem CID107317928
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
SMILESN/C(CC(NCCCCCO)c1ccccc1)=N/O
InChIInChI=1S/C14H23N3O2/c15-14(17-19)11-13(12-7-3-1-4-8-12)16-9-5-2-6-10-18/h1,3-4,7-8,13,16,18-19H,2,5-6,9-11H2,(H2,15,17)
InChIKeyXJISFDYUFDKXEV-UHFFFAOYSA-N
XLogP1.62
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

5-[[(3Z)-3-amino-3-hydroxyimino-1-phenylpropyl]amino]pentanamide
CID 106237568
N'-hydroxy-3-(pent-4-ynylamino)-3-phenylpropanimidamide
CID 106222316
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220
N'-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-3-phenylpropanimidamide
CID 77112882
N'-hydroxy-3-phenyl-3-(2-pyridin-2-ylethylamino)propanimidamide
CID 77025730
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
N'-hydroxy-3-phenyl-3-(2,2,3,3-tetrafluoropropylamino)propanimidamide
CID 106293122
3-(4-bromoanilino)-N'-hydroxy-3-phenylpropanimidamide
CID 77026727

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide (CID 107317928) is N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide is N/C(CC(NCCCCCO)c1ccccc1)=N/O.
What is the InChIKey of N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide?
The InChIKey is XJISFDYUFDKXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-14(17-19)11-13(12-7-3-1-4-8-12)16-9-5-2-6-10-18/h1,3-4,7-8,13,16,18-19H,2,5-6,9-11H2,(H2,15,17).
What are the key properties of N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide?
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide has a molecular weight of 265.36 g/mol, XLogP of 1.62, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide is sourced from PubChem (CID 107317928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).