2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide

C10H19N3O — CID 123622939

IUPAC2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCC/C1=N\CCN
InChIInChI=1S/C10H19N3O/c1-12-10(14)8-4-2-3-5-9(8)13-7-6-11/h8H,2-7,11H2,1H3,(H,12,14)/b13-9+
InChIKeyHGXAFXSORITYAU-UKTHLTGXSA-N
MW197.28 g/mol
LogP0.32
Rot. Bonds3

About 2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide

2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide (PubChem CID 123622939) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide
PubChem CID123622939
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCC/C1=N\CCN
InChIInChI=1S/C10H19N3O/c1-12-10(14)8-4-2-3-5-9(8)13-7-6-11/h8H,2-7,11H2,1H3,(H,12,14)/b13-9+
InChIKeyHGXAFXSORITYAU-UKTHLTGXSA-N
XLogP0.32
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-oxocyclohexane-1-carbohydrazide
CID 45084441
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
1-methyl-3-[(Z)-(2-methylcyclohexylidene)amino]thiourea
CID 6380013
[(E)-[(2S)-2-propylcyclohexylidene]amino]urea
CID 98548381
[(E)-(2-propylcyclohexylidene)amino]urea
CID 5385427
cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 131089330
4-N-methylcyclohexane-1,4-dicarboxamide
CID 131039944
[(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea
CID 16638260
N-(2-methoxyethyl)-2-methylcyclohexan-1-imine
CID 101271029
N-(4-chlorophenyl)-2-oxocyclohexane-1-carboxamide
CID 581272
2-ethylidenecyclohexane-1-carboxylic acid
CID 57189544
N-[(2R)-2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclohexylidene]-4-(4-propylpiperazin-1-yl)benzamide
CID 163414314

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide (CID 123622939) is 2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCCC/C1=N\CCN.
What is the InChIKey of 2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide?
The InChIKey is HGXAFXSORITYAU-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12-10(14)8-4-2-3-5-9(8)13-7-6-11/h8H,2-7,11H2,1H3,(H,12,14)/b13-9+.
What are the key properties of 2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide?
2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylimino)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 123622939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).