4-amino-5-oxohexanimidamide

C6H13N3O — CID 20765356

IUPAC4-amino-5-oxohexanimidamide
SMILES[H]/N=C(\N)CCC(N)C(C)=O
InChIInChI=1S/C6H13N3O/c1-4(10)5(7)2-3-6(8)9/h5H,2-3,7H2,1H3,(H3,8,9)
InChIKeyXGXHOQBOAKSFGD-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.38
Rot. Bonds4

About 4-amino-5-oxohexanimidamide

4-amino-5-oxohexanimidamide (PubChem CID 20765356) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-amino-5-oxohexanimidamide.

Molecular Properties

Compound Name4-amino-5-oxohexanimidamide
PubChem CID20765356
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name4-amino-5-oxohexanimidamide
SMILES[H]/N=C(\N)CCC(N)C(C)=O
InChIInChI=1S/C6H13N3O/c1-4(10)5(7)2-3-6(8)9/h5H,2-3,7H2,1H3,(H3,8,9)
InChIKeyXGXHOQBOAKSFGD-UHFFFAOYSA-N
XLogP-0.38
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-amino-5-oxohexanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-Amino-7-azaniumylidene-2-oxoheptan-3-yl)azanium
CID 58534096
N'-(4-amino-5-oxohexyl)ethanimidamide
CID 60000891
N'-(4-amino-5-oxoheptyl)propanimidamide
CID 90788141
2-Amino-3-oxopentanimidamide
CID 123490913
N'-(4-amino-5-oxohexyl)pentanimidamide
CID 123961015
N'-[(4R)-4-amino-5-oxohexyl]ethanimidamide
CID 126612660
N'-[(4S)-4-amino-5-oxohexyl]ethanimidamide
CID 126612661
[6-(1-Aminoethylideneamino)-2-oxohexan-3-yl]azanium
CID 142367126
(6R)-6-amino-7-oxooctanimidamide
CID 154955518
N'-[(4S)-4-amino-5-oxoheptyl]propanimidamide
CID 155607751
5-Amino-6-oxoheptanimidamide;methane;yttrium
CID 159719113
(7-Amino-7-azaniumylidene-2-oxoheptan-3-yl)azanium;methane;yttrium
CID 159719114

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxohexanimidamide?
The IUPAC name of 4-amino-5-oxohexanimidamide (CID 20765356) is 4-amino-5-oxohexanimidamide.
What is the SMILES notation for 4-amino-5-oxohexanimidamide?
The canonical SMILES for 4-amino-5-oxohexanimidamide is [H]/N=C(\N)CCC(N)C(C)=O.
What is the InChIKey of 4-amino-5-oxohexanimidamide?
The InChIKey is XGXHOQBOAKSFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4(10)5(7)2-3-6(8)9/h5H,2-3,7H2,1H3,(H3,8,9).
What are the key properties of 4-amino-5-oxohexanimidamide?
4-amino-5-oxohexanimidamide has a molecular weight of 143.19 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxohexanimidamide is sourced from PubChem (CID 20765356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).