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

C12H23N3O — CID 63177781

IUPAC2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)/N=C(\N)C1CCCCC1
InChIInChI=1S/C12H23N3O/c1-3-14-12(16)9(2)15-11(13)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyCKQGPJMNPMXNRB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.45
Rot. Bonds4

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

2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide (PubChem CID 63177781) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide
PubChem CID63177781
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)/N=C(\N)C1CCCCC1
InChIInChI=1S/C12H23N3O/c1-3-14-12(16)9(2)15-11(13)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyCKQGPJMNPMXNRB-UHFFFAOYSA-N
XLogP1.45
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.45
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'}

Analyze 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide (CID 63177781) is 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide is CCNC(=O)C(C)/N=C(\N)C1CCCCC1.
What is the InChIKey of 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide?
The InChIKey is CKQGPJMNPMXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-14-12(16)9(2)15-11(13)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide?
2-[[amino(cyclohexyl)methylidene]amino]-N-ethylpropanamide has a molecular weight of 225.34 g/mol, XLogP of 1.45, 4 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-ethylpropanamide is sourced from PubChem (CID 63177781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).