N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide

C18H22N2O — CID 143969035

IUPACN-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide
SMILESO=C(CC1=CCCCC1)N/N=C/C1=CCC2C=CC=CC12
InChIInChI=1S/C18H22N2O/c21-18(12-14-6-2-1-3-7-14)20-19-13-16-11-10-15-8-4-5-9-17(15)16/h4-6,8-9,11,13,15,17H,1-3,7,10,12H2,(H,20,21)/b19-13+
InChIKeyGUJGWLOWSFUAQM-CPNJWEJPSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds4

About N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide

N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide (PubChem CID 143969035) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide
PubChem CID143969035
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide
SMILESO=C(CC1=CCCCC1)N/N=C/C1=CCC2C=CC=CC12
InChIInChI=1S/C18H22N2O/c21-18(12-14-6-2-1-3-7-14)20-19-13-16-11-10-15-8-4-5-9-17(15)16/h4-6,8-9,11,13,15,17H,1-3,7,10,12H2,(H,20,21)/b19-13+
InChIKeyGUJGWLOWSFUAQM-CPNJWEJPSA-N
XLogP3.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
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

N'~1~,N'~10~-bis(3-cyclohexen-1-ylmethylene)decanedihydrazide
CID 5339736
N'-[(E)-cyclohex-3-en-1-ylmethylidene]cyclohexanecarbohydrazide
CID 9649246
N-[(E)-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 143458421
N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)decanediamide
CID 2848199
N,N'-bis(cyclohex-3-en-1-ylmethylideneamino)heptanediamide
CID 3443087
N-(cyclohex-3-en-1-ylmethylideneamino)undecanamide
CID 3601226
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)nonanamide
CID 4097851
N-(cyclohex-3-en-1-ylmethylideneamino)cyclohexanecarboxamide
CID 4141652
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)octanamide
CID 4341468
N-(cyclohex-3-en-1-ylmethylideneamino)nonanamide
CID 4414968
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)decanamide
CID 4591733
N-(cyclohex-3-en-1-ylmethylideneamino)octanamide
CID 4609512

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide (CID 143969035) is N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide is O=C(CC1=CCCCC1)N/N=C/C1=CCC2C=CC=CC12.
What is the InChIKey of N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide?
The InChIKey is GUJGWLOWSFUAQM-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(12-14-6-2-1-3-7-14)20-19-13-16-11-10-15-8-4-5-9-17(15)16/h4-6,8-9,11,13,15,17H,1-3,7,10,12H2,(H,20,21)/b19-13+.
What are the key properties of N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide?
N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3a,7a-dihydro-3H-inden-1-ylmethylideneamino]-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 143969035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).