2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide

C10H23N3O — CID 77048456

IUPAC2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide
SMILESCCC(NCC(C)C(C)C)C(N)=NO
InChIInChI=1S/C10H23N3O/c1-5-9(10(11)13-14)12-6-8(4)7(2)3/h7-9,12,14H,5-6H2,1-4H3,(H2,11,13)
InChIKeyDMLOHTROJVXUAI-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.39
Rot. Bonds6

About 2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide

2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide (PubChem CID 77048456) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide
PubChem CID77048456
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide
SMILESCCC(NCC(C)C(C)C)C(N)=NO
InChIInChI=1S/C10H23N3O/c1-5-9(10(11)13-14)12-6-8(4)7(2)3/h7-9,12,14H,5-6H2,1-4H3,(H2,11,13)
InChIKeyDMLOHTROJVXUAI-UHFFFAOYSA-N
XLogP1.39
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.39
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

N'-hydroxy-2-(2-methylpropylamino)butanimidamide
CID 77025273
N'-hydroxy-2-(2,3,3-trimethylbutylamino)butanimidamide
CID 83143473
N'-hydroxy-2-(2-hydroxybutylamino)butanimidamide
CID 104866829
N'-hydroxy-2-[(2-hydroxy-3-methoxypropyl)amino]butanimidamide
CID 77030893
N'-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanimidamide
CID 77032009
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]butanimidamide
CID 106161753
N'-hydroxy-2-(5-hydroxypentylamino)butanimidamide
CID 107317925
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
CID 83015704
N'-hydroxy-2-[4-[methyl(propan-2-yl)amino]butylamino]butanimidamide
CID 77031129
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide
CID 77032173
2-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxybutanimidamide
CID 77065013
N'-hydroxy-2-(oxan-2-ylmethylamino)butanimidamide
CID 77030636

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide (CID 77048456) is 2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide is CCC(NCC(C)C(C)C)C(N)=NO.
What is the InChIKey of 2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide?
The InChIKey is DMLOHTROJVXUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-9(10(11)13-14)12-6-8(4)7(2)3/h7-9,12,14H,5-6H2,1-4H3,(H2,11,13).
What are the key properties of 2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide?
2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77048456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).