N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide

C15H26N2O — CID 98462475

IUPACN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C\[C@H]1CC=CCC1
InChIInChI=1S/C15H26N2O/c1-2-3-4-5-9-12-15(18)17-16-13-14-10-7-6-8-11-14/h6-7,13-14H,2-5,8-12H2,1H3,(H,17,18)/b16-13-/t14-/m0/s1
InChIKeyAYCXIBCDAVLLFN-DSDLTIFZSA-N
MW250.39 g/mol
LogP3.81
Rot. Bonds8

About N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide (PubChem CID 98462475) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide.

Molecular Properties

Compound NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide
PubChem CID98462475
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide
SMILESCCCCCCCC(=O)N/N=C\[C@H]1CC=CCC1
InChIInChI=1S/C15H26N2O/c1-2-3-4-5-9-12-15(18)17-16-13-14-10-7-6-8-11-14/h6-7,13-14H,2-5,8-12H2,1H3,(H,17,18)/b16-13-/t14-/m0/s1
InChIKeyAYCXIBCDAVLLFN-DSDLTIFZSA-N
XLogP3.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.81
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide
CID 5053331
N-(cyclohexylmethylideneamino)nonanamide
CID 4285441
N-[(Z)-cyclohexylmethylideneamino]octanamide
CID 6069457
N-(cyclohexylmethylideneamino)dodecanamide
CID 5072532
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide
CID 7809782
3-(cyclohex-3-en-1-ylmethylidene)octan-2-one
CID 68525382
N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351479
N-(nonylideneamino)decanamide
CID 5084396
N-(nonylideneamino)octanamide
CID 4295690
N-(butylideneamino)heptanamide
CID 4641242
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide
CID 4197007
methyl N-[(E)-cyclohex-3-en-1-ylmethylideneamino]carbamodithioate
CID 170856160

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide?
The IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide (CID 98462475) is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide.
What is the SMILES notation for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide?
The canonical SMILES for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide is CCCCCCCC(=O)N/N=C\[C@H]1CC=CCC1.
What is the InChIKey of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide?
The InChIKey is AYCXIBCDAVLLFN-DSDLTIFZSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-3-4-5-9-12-15(18)17-16-13-14-10-7-6-8-11-14/h6-7,13-14H,2-5,8-12H2,1H3,(H,17,18)/b16-13-/t14-/m0/s1.
What are the key properties of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide?
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide has a molecular weight of 250.39 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide is sourced from PubChem (CID 98462475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).