N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide

C7H17N3O2 — CID 77030452

IUPACN'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide
SMILESCC(CO)NC(C)CC(N)=NO
InChIInChI=1S/C7H17N3O2/c1-5(3-7(8)10-12)9-6(2)4-11/h5-6,9,11-12H,3-4H2,1-2H3,(H2,8,10)
InChIKeyIMCAMRNWKIUEQZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.52
Rot. Bonds5

About N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide

N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide (PubChem CID 77030452) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide
PubChem CID77030452
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC NameN'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide
SMILESCC(CO)NC(C)CC(N)=NO
InChIInChI=1S/C7H17N3O2/c1-5(3-7(8)10-12)9-6(2)4-11/h5-6,9,11-12H,3-4H2,1-2H3,(H2,8,10)
InChIKeyIMCAMRNWKIUEQZ-UHFFFAOYSA-N
XLogP-0.52
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]butanimidamide
CID 106161775
N'-hydroxy-3-(1-methylsulfinylpropan-2-ylamino)butanimidamide
CID 104865880
N'-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]butanimidamide
CID 77055988
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxybutanimidamide
CID 81386366
N'-hydroxy-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanimidamide
CID 81355743
N'-hydroxy-3-[(4-hydroxy-2-methylbutan-2-yl)amino]butanimidamide
CID 104873435
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
CID 76934536
3-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77065010
3-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026652
3-[1-(1-adamantyl)ethylamino]-N'-hydroxybutanimidamide
CID 77026048

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide (CID 77030452) is N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide is CC(CO)NC(C)CC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide?
The InChIKey is IMCAMRNWKIUEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-5(3-7(8)10-12)9-6(2)4-11/h5-6,9,11-12H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide?
N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide has a molecular weight of 175.23 g/mol, XLogP of -0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1-hydroxypropan-2-ylamino)butanimidamide is sourced from PubChem (CID 77030452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).