N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide

C11H21N3O2 — CID 106828686

IUPACN-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide
SMILESCN(CC(N)=NO)C(=O)C1(C)CCCCC1
InChIInChI=1S/C11H21N3O2/c1-11(6-4-3-5-7-11)10(15)14(2)8-9(12)13-16/h16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyBMRHMXLOMCMOIA-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.16
Rot. Bonds3

About N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide (PubChem CID 106828686) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide
PubChem CID106828686
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide
SMILESCN(CC(N)=NO)C(=O)C1(C)CCCCC1
InChIInChI=1S/C11H21N3O2/c1-11(6-4-3-5-7-11)10(15)14(2)8-9(12)13-16/h16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyBMRHMXLOMCMOIA-UHFFFAOYSA-N
XLogP1.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.16
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-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
CID 76929440
N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide
CID 79152042
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide
CID 76920076
N-[2-(dimethylamino)-2-oxoethyl]-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide
CID 76920181
N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide
CID 79162050
N-(2-bromopropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106828970
N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
CID 76929143
N-(2-amino-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106829127
N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
CID 76928995
N,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130187
ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate
CID 76929212
N-(1-amino-2-methylpropan-2-yl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106829154

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide (CID 106828686) is N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide is CN(CC(N)=NO)C(=O)C1(C)CCCCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide?
The InChIKey is BMRHMXLOMCMOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(6-4-3-5-7-11)10(15)14(2)8-9(12)13-16/h16H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106828686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).