N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide

C10H19N5O — CID 77030553

IUPACN'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
SMILESCCC(NC(C)Cn1ccnc1)C(N)=NO
InChIInChI=1S/C10H19N5O/c1-3-9(10(11)14-16)13-8(2)6-15-5-4-12-7-15/h4-5,7-9,13,16H,3,6H2,1-2H3,(H2,11,14)
InChIKeyOEHGYMDFGNCLTK-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.39
Rot. Bonds6

About N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide

N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide (PubChem CID 77030553) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
PubChem CID77030553
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
SMILESCCC(NC(C)Cn1ccnc1)C(N)=NO
InChIInChI=1S/C10H19N5O/c1-3-9(10(11)14-16)13-8(2)6-15-5-4-12-7-15/h4-5,7-9,13,16H,3,6H2,1-2H3,(H2,11,14)
InChIKeyOEHGYMDFGNCLTK-UHFFFAOYSA-N
XLogP0.39
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
CID 77030707
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide
CID 54959021
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 62324787
1-(2-methylbutyl)imidazole
CID 59161437
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate
CID 61479265
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
1-(2,3-dimethylpentyl)imidazole
CID 91321632

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide (CID 77030553) is N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide is CCC(NC(C)Cn1ccnc1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide?
The InChIKey is OEHGYMDFGNCLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-9(10(11)14-16)13-8(2)6-15-5-4-12-7-15/h4-5,7-9,13,16H,3,6H2,1-2H3,(H2,11,14).
What are the key properties of N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide?
N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide has a molecular weight of 225.30 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide is sourced from PubChem (CID 77030553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).