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

C14H22N2O — CID 4141652

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide
SMILESO=C(NN=CC1CC=CCC1)C1CCCCC1
InChIInChI=1S/C14H22N2O/c17-14(13-9-5-2-6-10-13)16-15-11-12-7-3-1-4-8-12/h1,3,11-13H,2,4-10H2,(H,16,17)
InChIKeyRNPLJVKWWSKAOI-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.03
Rot. Bonds3

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

N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide (PubChem CID 4141652) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide
PubChem CID4141652
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide
SMILESO=C(NN=CC1CC=CCC1)C1CCCCC1
InChIInChI=1S/C14H22N2O/c17-14(13-9-5-2-6-10-13)16-15-11-12-7-3-1-4-8-12/h1,3,11-13H,2,4-10H2,(H,16,17)
InChIKeyRNPLJVKWWSKAOI-UHFFFAOYSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-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
N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 143458421
N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide
CID 143969035
N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)pentanediamide
CID 267066

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide (CID 4141652) is N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide is O=C(NN=CC1CC=CCC1)C1CCCCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide?
The InChIKey is RNPLJVKWWSKAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-14(13-9-5-2-6-10-13)16-15-11-12-7-3-1-4-8-12/h1,3,11-13H,2,4-10H2,(H,16,17).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide?
N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide has a molecular weight of 234.34 g/mol, XLogP of 3.03, 3 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)cyclohexanecarboxamide is sourced from PubChem (CID 4141652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).