N'-hydroxy-2-(2-methylpropylamino)butanimidamide

C8H19N3O — CID 77025273

IUPACN'-hydroxy-2-(2-methylpropylamino)butanimidamide
SMILESCCC(NCC(C)C)C(N)=NO
InChIInChI=1S/C8H19N3O/c1-4-7(8(9)11-12)10-5-6(2)3/h6-7,10,12H,4-5H2,1-3H3,(H2,9,11)
InChIKeyHZDYOOJGYXLBGK-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.76
Rot. Bonds5

About N'-hydroxy-2-(2-methylpropylamino)butanimidamide

N'-hydroxy-2-(2-methylpropylamino)butanimidamide (PubChem CID 77025273) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylpropylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylpropylamino)butanimidamide
PubChem CID77025273
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN'-hydroxy-2-(2-methylpropylamino)butanimidamide
SMILESCCC(NCC(C)C)C(N)=NO
InChIInChI=1S/C8H19N3O/c1-4-7(8(9)11-12)10-5-6(2)3/h6-7,10,12H,4-5H2,1-3H3,(H2,9,11)
InChIKeyHZDYOOJGYXLBGK-UHFFFAOYSA-N
XLogP0.76
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.76
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide
CID 77048456
N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide
CID 104866829
N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide
CID 83143473
N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide
CID 77030893
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]butanimidamide
CID 106161753
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009
N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide
CID 107317925
N'-hydroxy-2-(2-prop-2-ynylsulfanylethylamino)butanimidamide
CID 106429178
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
CID 83015704
N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
CID 77031129
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
2-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxybutanimidamide
CID 77065013

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylpropylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methylpropylamino)butanimidamide (CID 77025273) is N'-hydroxy-2-(2-methylpropylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylpropylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylpropylamino)butanimidamide is CCC(NCC(C)C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-methylpropylamino)butanimidamide?
The InChIKey is HZDYOOJGYXLBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-4-7(8(9)11-12)10-5-6(2)3/h6-7,10,12H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-(2-methylpropylamino)butanimidamide?
N'-hydroxy-2-(2-methylpropylamino)butanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylpropylamino)butanimidamide is sourced from PubChem (CID 77025273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).