3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide

C9H19N3O — CID 104873509

IUPAC3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(C)C1CCC1
InChIInChI=1S/C9H19N3O/c1-7(6-9(10)11-13)12(2)8-4-3-5-8/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyQVXLYUJZUYIRAC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.00
Rot. Bonds4

About 3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide

3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide (PubChem CID 104873509) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
PubChem CID104873509
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(C)C1CCC1
InChIInChI=1S/C9H19N3O/c1-7(6-9(10)11-13)12(2)8-4-3-5-8/h7-8,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyQVXLYUJZUYIRAC-UHFFFAOYSA-N
XLogP1.00
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
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

3-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybutanimidamide
CID 76883640
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
2-[cyclohexyl(methyl)amino]-N'-hydroxyethanimidamide
CID 24706703
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
4-[cyclopentyl(methyl)amino]pentan-2-one
CID 64698717
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
CID 76987659
4-[cycloheptyl(methyl)amino]pentan-2-one
CID 64696664
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide
CID 76987836
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybutanimidamide
CID 76975863
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407767
N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
CID 77008845

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide (CID 104873509) is 3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide is CC(CC(N)=NO)N(C)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is QVXLYUJZUYIRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(6-9(10)11-13)12(2)8-4-3-5-8/h7-8,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide?
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 185.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 104873509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).