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

C14H24N2O — CID 3630614

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=CC1CC=CCC1
InChIInChI=1S/C14H24N2O/c1-2-3-4-8-11-14(17)16-15-12-13-9-6-5-7-10-13/h5-6,12-13H,2-4,7-11H2,1H3,(H,16,17)
InChIKeyPLGWUPWNGNVSNE-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.42
Rot. Bonds7

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

N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide (PubChem CID 3630614) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)heptanamide
PubChem CID3630614
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=CC1CC=CCC1
InChIInChI=1S/C14H24N2O/c1-2-3-4-8-11-14(17)16-15-12-13-9-6-5-7-10-13/h5-6,12-13H,2-4,7-11H2,1H3,(H,16,17)
InChIKeyPLGWUPWNGNVSNE-UHFFFAOYSA-N
XLogP3.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.42
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'}

Analyze N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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'-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]hexanediamide
CID 44507345
N-[(E)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
CID 44507761
N-[(E)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-N'-hydroxyhexanediamide
CID 44507762
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

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide (CID 3630614) is N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide is CCCCCCC(=O)NN=CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide?
The InChIKey is PLGWUPWNGNVSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-4-8-11-14(17)16-15-12-13-9-6-5-7-10-13/h5-6,12-13H,2-4,7-11H2,1H3,(H,16,17).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide?
N-(cyclohex-3-en-1-ylmethylideneamino)heptanamide has a molecular weight of 236.36 g/mol, XLogP of 3.42, 7 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)heptanamide is sourced from PubChem (CID 3630614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).