N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide

C10H19N3O2 — CID 76987659

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
SMILESCC(CC(N)=NO)N(C)C(=O)CC1CC1
InChIInChI=1S/C10H19N3O2/c1-7(5-9(11)12-15)13(2)10(14)6-8-3-4-8/h7-8,15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyCVALBZGHJGRTPR-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.77
Rot. Bonds5

About N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide (PubChem CID 76987659) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
PubChem CID76987659
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
SMILESCC(CC(N)=NO)N(C)C(=O)CC1CC1
InChIInChI=1S/C10H19N3O2/c1-7(5-9(11)12-15)13(2)10(14)6-8-3-4-8/h7-8,15H,3-6H2,1-2H3,(H2,11,12)
InChIKeyCVALBZGHJGRTPR-UHFFFAOYSA-N
XLogP0.77
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.77
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

N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide
CID 76987836
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 77015069
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
CID 76987705
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-methoxy-N,3-dimethylbutanamide
CID 103022109
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide
CID 76987480
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylthiolane-2-carboxamide
CID 77021525
1-(4-amino-4-hydroxyiminobutan-2-yl)-1-methyl-3-propan-2-ylurea
CID 76987840
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide
CID 76910488
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104873509

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide (CID 76987659) is N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide is CC(CC(N)=NO)N(C)C(=O)CC1CC1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide?
The InChIKey is CVALBZGHJGRTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(5-9(11)12-15)13(2)10(14)6-8-3-4-8/h7-8,15H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide has a molecular weight of 213.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 76987659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).