3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide

C12H23N3O2 — CID 76920074

IUPAC3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NCC1CCCCC1)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-12(2,10(13)15-17)11(16)14-8-9-6-4-3-5-7-9/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeySPTIJVBITLXVPS-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide

3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 76920074) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID76920074
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)NCC1CCCCC1)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-12(2,10(13)15-17)11(16)14-8-9-6-4-3-5-7-9/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeySPTIJVBITLXVPS-UHFFFAOYSA-N
XLogP1.46
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.46
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

3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919874
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951227
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107414834
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
CID 76950134
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 104865064
2-amino-N-(cyclopentylmethyl)-2-methylbutanamide
CID 79796793
(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide
CID 43371707
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
3-amino-N-cyclopropyl-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920327
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(oxan-3-ylmethyl)butanamide
CID 113270817

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 76920074) is 3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide is CC(C)(C(=O)NCC1CCCCC1)C(N)=NO.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is SPTIJVBITLXVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,10(13)15-17)11(16)14-8-9-6-4-3-5-7-9/h9,17H,3-8H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide?
3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 241.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 76920074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).