N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide

C13H25N3O2 — CID 106828708

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC(C)C(NC(=O)C1(C)CCCCC1)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-9(2)10(11(14)16-18)15-12(17)13(3)7-5-4-6-8-13/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeySAZYDUDDEWIAFV-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.84
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106828708) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID106828708
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC(C)C(NC(=O)C1(C)CCCCC1)C(N)=NO
InChIInChI=1S/C13H25N3O2/c1-9(2)10(11(14)16-18)15-12(17)13(3)7-5-4-6-8-13/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeySAZYDUDDEWIAFV-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.84
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

2-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 44345840
2-(2-amino-2-hydroxyiminoethyl)-N-[1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 49823398
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932150
N-(1-amino-1-hydroxyiminopentan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932151
N-(1-amino-1-hydroxyiminopentan-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932230
N-(1-amino-1-hydroxyiminopentan-3-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932231
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932440
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932441
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932442
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932504
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932508
N-(2-amino-2-hydroxyiminoethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933001

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide (CID 106828708) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide is CC(C)C(NC(=O)C1(C)CCCCC1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is SAZYDUDDEWIAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)10(11(14)16-18)15-12(17)13(3)7-5-4-6-8-13/h9-10,18H,4-8H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.84, 4 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-3-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106828708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).