N-cyclohexyl-2-methylideneoctanamide

C15H27NO — CID 102470869

IUPACN-cyclohexyl-2-methylideneoctanamide
SMILESC=C(CCCCCC)C(=O)NC1CCCCC1
InChIInChI=1S/C15H27NO/c1-3-4-5-7-10-13(2)15(17)16-14-11-8-6-9-12-14/h14H,2-12H2,1H3,(H,16,17)
InChIKeyJCTFHSXNAAUBFK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.96
Rot. Bonds7

About N-cyclohexyl-2-methylideneoctanamide

N-cyclohexyl-2-methylideneoctanamide (PubChem CID 102470869) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-cyclohexyl-2-methylideneoctanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methylideneoctanamide
PubChem CID102470869
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-cyclohexyl-2-methylideneoctanamide
SMILESC=C(CCCCCC)C(=O)NC1CCCCC1
InChIInChI=1S/C15H27NO/c1-3-4-5-7-10-13(2)15(17)16-14-11-8-6-9-12-14/h14H,2-12H2,1H3,(H,16,17)
InChIKeyJCTFHSXNAAUBFK-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methylideneoctanamide?
The IUPAC name of N-cyclohexyl-2-methylideneoctanamide (CID 102470869) is N-cyclohexyl-2-methylideneoctanamide.
What is the SMILES notation for N-cyclohexyl-2-methylideneoctanamide?
The canonical SMILES for N-cyclohexyl-2-methylideneoctanamide is C=C(CCCCCC)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methylideneoctanamide?
The InChIKey is JCTFHSXNAAUBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-4-5-7-10-13(2)15(17)16-14-11-8-6-9-12-14/h14H,2-12H2,1H3,(H,16,17).
What are the key properties of N-cyclohexyl-2-methylideneoctanamide?
N-cyclohexyl-2-methylideneoctanamide has a molecular weight of 237.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methylideneoctanamide is sourced from PubChem (CID 102470869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).