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

C13H25N3O — CID 63177900

IUPAC2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)/N=C(\N)C1CCCCC1
InChIInChI=1S/C13H25N3O/c1-3-9-15-13(17)10(2)16-12(14)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyFQUOKDMTGOQTHV-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.84
Rot. Bonds5

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

2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide (PubChem CID 63177900) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide
PubChem CID63177900
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)/N=C(\N)C1CCCCC1
InChIInChI=1S/C13H25N3O/c1-3-9-15-13(17)10(2)16-12(14)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyFQUOKDMTGOQTHV-UHFFFAOYSA-N
XLogP1.84
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.84
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-propylpropanamide?
The IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide (CID 63177900) is 2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide is CCCNC(=O)C(C)/N=C(\N)C1CCCCC1.
What is the InChIKey of 2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide?
The InChIKey is FQUOKDMTGOQTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-9-15-13(17)10(2)16-12(14)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide?
2-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 1.84, 5 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-propylpropanamide is sourced from PubChem (CID 63177900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).