N-(cyclohex-3-en-1-ylmethylideneamino)octanamide

C15H26N2O — CID 4609512

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)octanamide
SMILESCCCCCCCC(=O)NN=CC1CC=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)
InChIKeyAYCXIBCDAVLLFN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.81
Rot. Bonds8

About N-(cyclohex-3-en-1-ylmethylideneamino)octanamide

N-(cyclohex-3-en-1-ylmethylideneamino)octanamide (PubChem CID 4609512) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)octanamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)octanamide
PubChem CID4609512
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)octanamide
SMILESCCCCCCCC(=O)NN=CC1CC=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)
InChIKeyAYCXIBCDAVLLFN-UHFFFAOYSA-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

4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 17921898
N'~1~,N'~10~-bis(3-cyclohexen-1-ylmethylene)decanedihydrazide
CID 5339736
N'~1~,N'~5~-bis(3-cyclohexen-1-ylmethylene)pentanedihydrazide
CID 9615447
N'-[(E)-cyclohex-3-en-1-ylmethylidene]cyclohexanecarbohydrazide
CID 9649246
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44506967
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyheptanediamide
CID 44507865
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyoctanediamide
CID 44507898
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-N'-[(Z)-cyclohex-3-en-1-ylmethylideneamino]pentanediamide
CID 54610046
(4aR,8aS)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 67503627
(4aS,8aR)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 67503629
4a,5,8,8a-tetrahydro-2H-phthalazin-1-one;hydrochloride
CID 69923901
4a,5,8,8a-tetrahydro-2H-phthalazin-1-one;dihydrochloride
CID 141057347

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)octanamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)octanamide (CID 4609512) is N-(cyclohex-3-en-1-ylmethylideneamino)octanamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)octanamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)octanamide is CCCCCCCC(=O)NN=CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)octanamide?
The InChIKey is AYCXIBCDAVLLFN-UHFFFAOYSA-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).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)octanamide?
N-(cyclohex-3-en-1-ylmethylideneamino)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-(cyclohex-3-en-1-ylmethylideneamino)octanamide is sourced from PubChem (CID 4609512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).