3-cyclohexyliminopropanamide

C9H16N2O — CID 91368526

IUPAC3-cyclohexyliminopropanamide
SMILESNC(=O)C/C=N/C1CCCCC1
InChIInChI=1S/C9H16N2O/c10-9(12)6-7-11-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,10,12)/b11-7+
InChIKeyFBLVISULSBWKOM-YRNVUSSQSA-N
MW168.24 g/mol
LogP1.27
Rot. Bonds3

About 3-cyclohexyliminopropanamide

3-cyclohexyliminopropanamide (PubChem CID 91368526) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-cyclohexyliminopropanamide.

Molecular Properties

Compound Name3-cyclohexyliminopropanamide
PubChem CID91368526
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-cyclohexyliminopropanamide
SMILESNC(=O)C/C=N/C1CCCCC1
InChIInChI=1S/C9H16N2O/c10-9(12)6-7-11-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,10,12)/b11-7+
InChIKeyFBLVISULSBWKOM-YRNVUSSQSA-N
XLogP1.27
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyliminopropanamide?
The IUPAC name of 3-cyclohexyliminopropanamide (CID 91368526) is 3-cyclohexyliminopropanamide.
What is the SMILES notation for 3-cyclohexyliminopropanamide?
The canonical SMILES for 3-cyclohexyliminopropanamide is NC(=O)C/C=N/C1CCCCC1.
What is the InChIKey of 3-cyclohexyliminopropanamide?
The InChIKey is FBLVISULSBWKOM-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H16N2O/c10-9(12)6-7-11-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,10,12)/b11-7+.
What are the key properties of 3-cyclohexyliminopropanamide?
3-cyclohexyliminopropanamide has a molecular weight of 168.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyliminopropanamide is sourced from PubChem (CID 91368526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).