N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide

C12H23N3O2 — CID 106828674

IUPACN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NC(C)(C)C(N)=NO)CCCCC1
InChIInChI=1S/C12H23N3O2/c1-11(2,9(13)15-17)14-10(16)12(3)7-5-4-6-8-12/h17H,4-8H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyCVOYRYYYCMNHQF-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds3

About N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106828674) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID106828674
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)NC(C)(C)C(N)=NO)CCCCC1
InChIInChI=1S/C12H23N3O2/c1-11(2,9(13)15-17)14-10(16)12(3)7-5-4-6-8-12/h17H,4-8H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyCVOYRYYYCMNHQF-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
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

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106827317
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide
CID 104873764
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828708
N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829007
1-methyl-N-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxamide
CID 82723804
tert-butyl N-[(1E)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]carbamate
CID 56828012
methyl 2-methyl-2-[(1-methylcyclohexanecarbonyl)amino]pentanoate
CID 106828159
2-(1-adamantyl)-N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)acetamide
CID 79989120
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 110476181
N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106828692
methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
CID 106828162
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylcyclohexane-1-carboxamide
CID 106828712

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide (CID 106828674) is N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)NC(C)(C)C(N)=NO)CCCCC1.
What is the InChIKey of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is CVOYRYYYCMNHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2,9(13)15-17)14-10(16)12(3)7-5-4-6-8-12/h17H,4-8H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide?
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106828674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).