3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide

C11H21N3O2 — CID 76927375

IUPAC3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide
SMILESCC(C(=O)NC1(C)CCCCC1)C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-8(9(12)14-16)10(15)13-11(2)6-4-3-5-7-11/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyUSRPEODWDLJULZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.21
Rot. Bonds3

About 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide

3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide (PubChem CID 76927375) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide
PubChem CID76927375
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide
SMILESCC(C(=O)NC1(C)CCCCC1)C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-8(9(12)14-16)10(15)13-11(2)6-4-3-5-7-11/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyUSRPEODWDLJULZ-UHFFFAOYSA-N
XLogP1.21
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.21
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'}

Analyze 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(N'-hydroxycarbamimidoyl)-N-(1-methylcyclohexyl)cyclopropane-1-carboxamide
CID 80597111
N-(1-methylcyclohexyl)-2-sulfanylpropanamide
CID 107027312
3-amino-N-(2,2-dimethylcyclopropyl)-3-hydroxyimino-2-methylpropanamide
CID 76928487
3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide
CID 114117368
3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyimino-2-methylpropanamide
CID 79988898
3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide
CID 77051955
3-amino-N-cyclopropyl-3-hydroxyimino-2-methylpropanamide
CID 76925873
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828708
3-(azocan-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76924604
1-(1-methylcyclohexyl)-2-propan-2-ylguanidine
CID 62380383
2,3-dimethyl-4-[(1-methylcyclopentyl)amino]-4-oxobutanoic acid
CID 103498024
3-amino-3-hydroxyimino-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 104861590

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide (CID 76927375) is 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide is CC(C(=O)NC1(C)CCCCC1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide?
The InChIKey is USRPEODWDLJULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(9(12)14-16)10(15)13-11(2)6-4-3-5-7-11/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide has a molecular weight of 227.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-(1-methylcyclohexyl)propanamide is sourced from PubChem (CID 76927375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).