2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide

C10H19N3O — CID 63175829

IUPAC2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide
SMILESCNC(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C10H19N3O/c1-12-9(14)7-13-10(11)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,13)(H,12,14)
InChIKeyRUBCWOSLSANAHY-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.67
Rot. Bonds3

About 2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide

2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide (PubChem CID 63175829) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide
PubChem CID63175829
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide
SMILESCNC(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C10H19N3O/c1-12-9(14)7-13-10(11)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,13)(H,12,14)
InChIKeyRUBCWOSLSANAHY-UHFFFAOYSA-N
XLogP0.67
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide?
The IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide (CID 63175829) is 2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide?
The canonical SMILES for 2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide is CNC(=O)C/N=C(\N)C1CCCCC1.
What is the InChIKey of 2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide?
The InChIKey is RUBCWOSLSANAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12-9(14)7-13-10(11)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide?
2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide has a molecular weight of 197.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclohexyl)methylidene]amino]-N-methylacetamide is sourced from PubChem (CID 63175829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).