N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine

C14H20N2 — CID 5209765

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine
SMILESCn1cccc/c1=N\CCC1=CCCCC1
InChIInChI=1S/C14H20N2/c1-16-12-6-5-9-14(16)15-11-10-13-7-3-2-4-8-13/h5-7,9,12H,2-4,8,10-11H2,1H3/b15-14+
InChIKeyJGXHBOYIYOFDQF-CCEZHUSRSA-N
MW216.33 g/mol
LogP2.82
Rot. Bonds3

About N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine

N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine (PubChem CID 5209765) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine
PubChem CID5209765
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine
SMILESCn1cccc/c1=N\CCC1=CCCCC1
InChIInChI=1S/C14H20N2/c1-16-12-6-5-9-14(16)15-11-10-13-7-3-2-4-8-13/h5-7,9,12H,2-4,8,10-11H2,1H3/b15-14+
InChIKeyJGXHBOYIYOFDQF-CCEZHUSRSA-N
XLogP2.82
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-amine
CID 14147486
7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
2-ethenyl-N-methylisoquinolin-3-imine
CID 118303833
ethane;N-ethenyl-4-ethyl-1-methylpyridin-2-imine
CID 142456423
1-ethenyl-5-ethyl-N-methylpyridin-2-imine
CID 142917596
ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane
CID 143538925
ethane;1-ethenyl-N,5-dimethylpyridin-2-imine
CID 143611239
5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine
CID 144513560
ethane;N-ethenyl-1,5-dimethylpyridin-2-imine
CID 145448739
N-ethenyl-1-methyl-5-propan-2-ylpyridin-2-imine
CID 168258051
N-ethenyl-1-methyl-4-propan-2-ylpyridin-2-imine
CID 169867475

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine (CID 5209765) is N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine is Cn1cccc/c1=N\CCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine?
The InChIKey is JGXHBOYIYOFDQF-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H20N2/c1-16-12-6-5-9-14(16)15-11-10-13-7-3-2-4-8-13/h5-7,9,12H,2-4,8,10-11H2,1H3/b15-14+.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine?
N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine has a molecular weight of 216.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine is sourced from PubChem (CID 5209765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).