1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane

C14H26N2 — CID 143424286

IUPAC1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
SMILESCC.CC.[H]/N=c1\ccc(C)cn1/C(C)=C/C
InChIInChI=1S/C10H14N2.2C2H6/c1-4-9(3)12-7-8(2)5-6-10(12)11;2*1-2/h4-7,11H,1-3H3;2*1-2H3/b9-4+,11-10+;;
InChIKeyKNTIQKVSIIBOKK-BRCKSSGSSA-N
MW222.38 g/mol
LogP4.21
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane

1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane (PubChem CID 143424286) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
PubChem CID143424286
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
SMILESCC.CC.[H]/N=c1\ccc(C)cn1/C(C)=C/C
InChIInChI=1S/C10H14N2.2C2H6/c1-4-9(3)12-7-8(2)5-6-10(12)11;2*1-2/h4-7,11H,1-3H3;2*1-2H3/b9-4+,11-10+;;
InChIKeyKNTIQKVSIIBOKK-BRCKSSGSSA-N
XLogP4.21
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2e)-1,4-Dimethylpyridin-2(1h)-imine
CID 288604
1-(3-Fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
CID 154965437
(3Z)-5,5-difluoro-6-imino-6-(2-imino-5-methyl-1-pyridinyl)hexa-1,3-diene-1,1,4-triamine
CID 154483109
2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine
CID 54460297
1-Tert-butylpyridin-2-imine
CID 58097190
1,4-Ditert-butylpyridin-2-imine
CID 59116553
1-Butyl-5-tert-butylpyridin-2-imine
CID 66643174
4-Tert-butyl-1-butylpyridin-2(1h)-imine
CID 66643290
5-Ethyl-1-methanimidoylpyridin-2-imine
CID 68338821
1,5-Dimethylpyridin-2-imine
CID 70512128
1,4,5-Trimethylpyridin-2-imine
CID 89231210
N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide
CID 89402555

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane (CID 143424286) is 1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane is CC.CC.[H]/N=c1\ccc(C)cn1/C(C)=C/C.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane?
The InChIKey is KNTIQKVSIIBOKK-BRCKSSGSSA-N. The full InChI is InChI=1S/C10H14N2.2C2H6/c1-4-9(3)12-7-8(2)5-6-10(12)11;2*1-2/h4-7,11H,1-3H3;2*1-2H3/b9-4+,11-10+;;.
What are the key properties of 1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane?
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane has a molecular weight of 222.38 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane is sourced from PubChem (CID 143424286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).