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

C13H22N2O — CID 5053331

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)hexanamide
SMILESCCCCCC(=O)NN=CC1CC=CCC1
InChIInChI=1S/C13H22N2O/c1-2-3-5-10-13(16)15-14-11-12-8-6-4-7-9-12/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,15,16)
InChIKeyXSYPSGBCOHFMKQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.03
Rot. Bonds6

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

N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide (PubChem CID 5053331) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)hexanamide
PubChem CID5053331
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)hexanamide
SMILESCCCCCC(=O)NN=CC1CC=CCC1
InChIInChI=1S/C13H22N2O/c1-2-3-5-10-13(16)15-14-11-12-8-6-4-7-9-12/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,15,16)
InChIKeyXSYPSGBCOHFMKQ-UHFFFAOYSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.03
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-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide
CID 98462475
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide
CID 7809782
N-(cyclohexylmethylideneamino)nonanamide
CID 4285441
N-[(Z)-cyclohexylmethylideneamino]octanamide
CID 6069457
N-(cyclohexylmethylideneamino)dodecanamide
CID 5072532
3-(cyclohex-3-en-1-ylmethylidene)octan-2-one
CID 68525382
N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide
CID 4284362
methyl N-[(E)-cyclohex-3-en-1-ylmethylideneamino]carbamodithioate
CID 170856160
N-(cyclohex-3-en-1-ylmethylideneamino)-2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetamide
CID 2788862
N-(cyclohex-3-en-1-ylmethylideneamino)-2-naphthalen-2-yloxyacetamide
CID 5202490
1-(cyclohex-3-en-1-ylmethylideneamino)-3-propan-2-ylthiourea
CID 3609168
N-(2-bicyclo[2.2.1]heptanylmethylideneamino)decanamide
CID 4197007

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide (CID 5053331) is N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide is CCCCCC(=O)NN=CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide?
The InChIKey is XSYPSGBCOHFMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-5-10-13(16)15-14-11-12-8-6-4-7-9-12/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,15,16).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide?
N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide has a molecular weight of 222.33 g/mol, XLogP of 3.03, 6 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)hexanamide is sourced from PubChem (CID 5053331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).