N-(propan-2-ylideneamino)octanamide

C11H22N2O — CID 4230018

IUPACN-(propan-2-ylideneamino)octanamide
SMILESCCCCCCCC(=O)NN=C(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-6-7-8-9-11(14)13-12-10(2)3/h4-9H2,1-3H3,(H,13,14)
InChIKeyIYWAPFQFYHKJSS-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.86
Rot. Bonds7

About N-(propan-2-ylideneamino)octanamide

N-(propan-2-ylideneamino)octanamide (PubChem CID 4230018) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)octanamide.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)octanamide
PubChem CID4230018
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(propan-2-ylideneamino)octanamide
SMILESCCCCCCCC(=O)NN=C(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-6-7-8-9-11(14)13-12-10(2)3/h4-9H2,1-3H3,(H,13,14)
InChIKeyIYWAPFQFYHKJSS-UHFFFAOYSA-N
XLogP2.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.86
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-(propan-2-ylideneamino)octanamide?
The IUPAC name of N-(propan-2-ylideneamino)octanamide (CID 4230018) is N-(propan-2-ylideneamino)octanamide.
What is the SMILES notation for N-(propan-2-ylideneamino)octanamide?
The canonical SMILES for N-(propan-2-ylideneamino)octanamide is CCCCCCCC(=O)NN=C(C)C.
What is the InChIKey of N-(propan-2-ylideneamino)octanamide?
The InChIKey is IYWAPFQFYHKJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-6-7-8-9-11(14)13-12-10(2)3/h4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(propan-2-ylideneamino)octanamide?
N-(propan-2-ylideneamino)octanamide has a molecular weight of 198.31 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)octanamide is sourced from PubChem (CID 4230018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).