1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine

C14H19N3 — CID 123811988

IUPAC1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine
SMILES[H]/N=c1\ccc(C2=CCNCC2)cn1C(=C)CC
InChIInChI=1S/C14H19N3/c1-3-11(2)17-10-13(4-5-14(17)15)12-6-8-16-9-7-12/h4-6,10,15-16H,2-3,7-9H2,1H3/b15-14+
InChIKeyACBCUYJKJNOFSO-CCEZHUSRSA-N
MW229.33 g/mol
LogP2.22
Rot. Bonds3

About 1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine

1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine (PubChem CID 123811988) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine.

Molecular Properties

Compound Name1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine
PubChem CID123811988
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine
SMILES[H]/N=c1\ccc(C2=CCNCC2)cn1C(=C)CC
InChIInChI=1S/C14H19N3/c1-3-11(2)17-10-13(4-5-14(17)15)12-6-8-16-9-7-12/h4-6,10,15-16H,2-3,7-9H2,1H3/b15-14+
InChIKeyACBCUYJKJNOFSO-CCEZHUSRSA-N
XLogP2.22
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
4-Methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123256021
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
(E)-4-(1-ethanimidoyl-2-imino-4-pyridinyl)-N,3-dimethyl-4-methyliminobut-2-en-2-amine
CID 134567574
4-(Ethylamino)cyclohexa-1,3-diene-1-carboximidamide
CID 137002113
2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine;(Z)-3,4-dimethyloct-4-ene
CID 142511349
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
CID 143424286
1-Methanimidoyl-4-piperidin-4-ylpyridin-2-imine
CID 143982772
Ethane;1-methanimidoyl-5-piperidin-4-ylpyridin-2-imine
CID 144872610
N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine
CID 155441895
1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine
CID 155727649

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine?
The IUPAC name of 1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine (CID 123811988) is 1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine.
What is the SMILES notation for 1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine?
The canonical SMILES for 1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine is [H]/N=c1\ccc(C2=CCNCC2)cn1C(=C)CC.
What is the InChIKey of 1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine?
The InChIKey is ACBCUYJKJNOFSO-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-11(2)17-10-13(4-5-14(17)15)12-6-8-16-9-7-12/h4-6,10,15-16H,2-3,7-9H2,1H3/b15-14+.
What are the key properties of 1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine?
1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine has a molecular weight of 229.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine is sourced from PubChem (CID 123811988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).