1-but-1-en-2-yl-4-ethylpyridin-2-imine

C11H16N2 — CID 169252177

IUPAC1-but-1-en-2-yl-4-ethylpyridin-2-imine
SMILES[H]/N=c1\cc(CC)ccn1C(=C)CC
InChIInChI=1S/C11H16N2/c1-4-9(3)13-7-6-10(5-2)8-11(13)12/h6-8,12H,3-5H2,1-2H3/b12-11+
InChIKeyBQYXNRWNTJNIML-VAWYXSNFSA-N
MW176.26 g/mol
LogP2.41
Rot. Bonds3

About 1-but-1-en-2-yl-4-ethylpyridin-2-imine

1-but-1-en-2-yl-4-ethylpyridin-2-imine (PubChem CID 169252177) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-ethylpyridin-2-imine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-ethylpyridin-2-imine
PubChem CID169252177
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-but-1-en-2-yl-4-ethylpyridin-2-imine
SMILES[H]/N=c1\cc(CC)ccn1C(=C)CC
InChIInChI=1S/C11H16N2/c1-4-9(3)13-7-6-10(5-2)8-11(13)12/h6-8,12H,3-5H2,1-2H3/b12-11+
InChIKeyBQYXNRWNTJNIML-VAWYXSNFSA-N
XLogP2.41
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
CID 154965437
(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide
CID 165410656
(3Z)-5,5-difluoro-6-imino-6-(2-imino-5-methyl-1-pyridinyl)hexa-1,3-diene-1,1,4-triamine
CID 154483109
5-(2-Fluoropropan-2-yl)-3-propan-2-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 168201716
2-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine
CID 54460297
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
N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide
CID 89402555
1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine
CID 90136917
5-Methyl-1-(2-methylpropanimidoyl)pyridin-2-imine
CID 91128581

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-ethylpyridin-2-imine?
The IUPAC name of 1-but-1-en-2-yl-4-ethylpyridin-2-imine (CID 169252177) is 1-but-1-en-2-yl-4-ethylpyridin-2-imine.
What is the SMILES notation for 1-but-1-en-2-yl-4-ethylpyridin-2-imine?
The canonical SMILES for 1-but-1-en-2-yl-4-ethylpyridin-2-imine is [H]/N=c1\cc(CC)ccn1C(=C)CC.
What is the InChIKey of 1-but-1-en-2-yl-4-ethylpyridin-2-imine?
The InChIKey is BQYXNRWNTJNIML-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-9(3)13-7-6-10(5-2)8-11(13)12/h6-8,12H,3-5H2,1-2H3/b12-11+.
What are the key properties of 1-but-1-en-2-yl-4-ethylpyridin-2-imine?
1-but-1-en-2-yl-4-ethylpyridin-2-imine has a molecular weight of 176.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-ethylpyridin-2-imine is sourced from PubChem (CID 169252177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).