4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

C12H25N3O — CID 104871369

IUPAC4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(NCCC(C)(C)C(N)=NO)C1CCC1
InChIInChI=1S/C12H25N3O/c1-9(10-5-4-6-10)14-8-7-12(2,3)11(13)15-16/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyCHMISUPVYZAIEP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.93
Rot. Bonds6

About 4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 104871369) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID104871369
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(NCCC(C)(C)C(N)=NO)C1CCC1
InChIInChI=1S/C12H25N3O/c1-9(10-5-4-6-10)14-8-7-12(2,3)11(13)15-16/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15)
InChIKeyCHMISUPVYZAIEP-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.93
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

4-(2-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 104864449
4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81391896
4-[[(1S)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384605
N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide
CID 77061866
N'-hydroxy-4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,2-dimethylbutanimidamide
CID 79249626
4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide
CID 81392075
4-(2-cyclopropylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77072429
3-(1-cyclobutylethylamino)propan-1-ol
CID 115705210
2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide
CID 77029717
N'-hydroxy-2,2-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanimidamide
CID 114130997

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 104871369) is 4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(NCCC(C)(C)C(N)=NO)C1CCC1.
What is the InChIKey of 4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is CHMISUPVYZAIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(10-5-4-6-10)14-8-7-12(2,3)11(13)15-16/h9-10,14,16H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclobutylethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 104871369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).