N-(cyclohexylideneamino)heptanamide

C13H24N2O — CID 4657934

IUPACN-(cyclohexylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C1CCCCC1
InChIInChI=1S/C13H24N2O/c1-2-3-4-8-11-13(16)15-14-12-9-6-5-7-10-12/h2-11H2,1H3,(H,15,16)
InChIKeyQHOXEEWIHNGMBD-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.39
Rot. Bonds6

About N-(cyclohexylideneamino)heptanamide

N-(cyclohexylideneamino)heptanamide (PubChem CID 4657934) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(cyclohexylideneamino)heptanamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)heptanamide
PubChem CID4657934
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(cyclohexylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C1CCCCC1
InChIInChI=1S/C13H24N2O/c1-2-3-4-8-11-13(16)15-14-12-9-6-5-7-10-12/h2-11H2,1H3,(H,15,16)
InChIKeyQHOXEEWIHNGMBD-UHFFFAOYSA-N
XLogP3.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)heptanamide?
The IUPAC name of N-(cyclohexylideneamino)heptanamide (CID 4657934) is N-(cyclohexylideneamino)heptanamide.
What is the SMILES notation for N-(cyclohexylideneamino)heptanamide?
The canonical SMILES for N-(cyclohexylideneamino)heptanamide is CCCCCCC(=O)NN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)heptanamide?
The InChIKey is QHOXEEWIHNGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-4-8-11-13(16)15-14-12-9-6-5-7-10-12/h2-11H2,1H3,(H,15,16).
What are the key properties of N-(cyclohexylideneamino)heptanamide?
N-(cyclohexylideneamino)heptanamide has a molecular weight of 224.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)heptanamide is sourced from PubChem (CID 4657934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).