2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide

C11H21N3O — CID 77032817

IUPAC2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide
SMILESCCC(NC(C1CC1)C1CC1)C(N)=NO
InChIInChI=1S/C11H21N3O/c1-2-9(11(12)14-15)13-10(7-3-4-7)8-5-6-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyVVIUNDNWGPCUGL-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.29
Rot. Bonds6

About 2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide

2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide (PubChem CID 77032817) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide
PubChem CID77032817
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide
SMILESCCC(NC(C1CC1)C1CC1)C(N)=NO
InChIInChI=1S/C11H21N3O/c1-2-9(11(12)14-15)13-10(7-3-4-7)8-5-6-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14)
InChIKeyVVIUNDNWGPCUGL-UHFFFAOYSA-N
XLogP1.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.29
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-(1,3-dihydroxypropan-2-ylamino)-N'-hydroxybutanimidamide
CID 77065013
2-(hexan-3-ylamino)-N'-hydroxybutanimidamide
CID 77028225
1-(1-amino-1-hydroxyiminobutan-2-yl)-3-cyclopropylurea
CID 76954547
N'-hydroxy-2-[(1-methylpiperidin-4-yl)amino]butanimidamide
CID 77028374
N'-hydroxy-2-[(2-methyloxolan-3-yl)amino]butanimidamide
CID 82728599
2-(2,2-dimethylhydrazinyl)-N'-hydroxybutanimidamide
CID 83015704
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(thian-4-yl)acetamide
CID 83136385
2-amino-2-cyclopropyl-N'-hydroxyethanimidamide
CID 77052245
2-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxybutanimidamide
CID 77029726
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxybutanimidamide
CID 77032173
N'-hydroxy-2-(2-methylpropylamino)butanimidamide
CID 77025273
N'-hydroxy-2-(oxan-2-ylmethylamino)butanimidamide
CID 77030636

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide (CID 77032817) is 2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide is CCC(NC(C1CC1)C1CC1)C(N)=NO.
What is the InChIKey of 2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide?
The InChIKey is VVIUNDNWGPCUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-9(11(12)14-15)13-10(7-3-4-7)8-5-6-8/h7-10,13,15H,2-6H2,1H3,(H2,12,14).
What are the key properties of 2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide?
2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide has a molecular weight of 211.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylmethylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77032817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).