N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide

C18H27N2O+ — CID 8877333

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-2-6-16-10-13-20(14-11-16)15-18(21)19-12-9-17-7-4-3-5-8-17/h7,10-11,13-14H,2-6,8-9,12,15H2,1H3/p+1
InChIKeyAZVMTENVYKAQLL-UHFFFAOYSA-O
MW287.43 g/mol
LogP2.93
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide (PubChem CID 8877333) has the molecular formula C18H27N2O+ and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide
PubChem CID8877333
Molecular FormulaC18H27N2O+
Molecular Weight287.43 g/mol
Exact Mass287.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide
SMILESCCCc1cc[n+](CC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-2-6-16-10-13-20(14-11-16)15-18(21)19-12-9-17-7-4-3-5-8-17/h7,10-11,13-14H,2-6,8-9,12,15H2,1H3/p+1
InChIKeyAZVMTENVYKAQLL-UHFFFAOYSA-O
XLogP2.93
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 8858174
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
N-(3-methoxypropyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877383
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
N-[2-(cyclohexen-1-yl)ethyl]-3-oxododecanamide
CID 56669533
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide (CID 8877333) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide is CCCc1cc[n+](CC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide?
The InChIKey is AZVMTENVYKAQLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N2O/c1-2-6-16-10-13-20(14-11-16)15-18(21)19-12-9-17-7-4-3-5-8-17/h7,10-11,13-14H,2-6,8-9,12,15H2,1H3/p+1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide has a molecular weight of 287.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-propylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8877333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).