5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine

C12H18N2 — CID 144513560

IUPAC5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine
SMILESC=Cn1cc(C(C)CC)cc/c1=N\C
InChIInChI=1S/C12H18N2/c1-5-10(3)11-7-8-12(13-4)14(6-2)9-11/h6-10H,2,5H2,1,3-4H3/b13-12+
InChIKeyQPBNXKGCNMNPIZ-OUKQBFOZSA-N
MW190.29 g/mol
LogP2.63
Rot. Bonds3

About 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine

5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine (PubChem CID 144513560) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine.

Molecular Properties

Compound Name5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine
PubChem CID144513560
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine
SMILESC=Cn1cc(C(C)CC)cc/c1=N\C
InChIInChI=1S/C12H18N2/c1-5-10(3)11-7-8-12(13-4)14(6-2)9-11/h6-10H,2,5H2,1,3-4H3/b13-12+
InChIKeyQPBNXKGCNMNPIZ-OUKQBFOZSA-N
XLogP2.63
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005
N,1,4-trimethylpyridin-2-imine
CID 23387651
4-tert-butyl-N,1-dimethylpyridin-2-imine
CID 59485522
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
2-Ethyl-2,7-dimethylpyrimido[1,2-a]azocine
CID 91186655
(2E)-N,N,5,6,7-pentamethyl-2-[(E)-prop-1-enyl]-4,5-dihydroazocin-8-amine
CID 91425885
7-Propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine
CID 117797842
2-ethenyl-N-methylisoquinolin-3-imine
CID 118303833
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
1-ethenyl-N,4-dimethylpyridin-2-imine
CID 122691863
2,3,4-trimethyl-N'-[(E)-pent-1-enyl]cyclohexa-1,5-diene-1-carboximidamide
CID 126593883
N,1,5-trimethylpyridin-2-imine
CID 135258651

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine?
The IUPAC name of 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine (CID 144513560) is 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine.
What is the SMILES notation for 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine?
The canonical SMILES for 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine is C=Cn1cc(C(C)CC)cc/c1=N\C.
What is the InChIKey of 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine?
The InChIKey is QPBNXKGCNMNPIZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-10(3)11-7-8-12(13-4)14(6-2)9-11/h6-10H,2,5H2,1,3-4H3/b13-12+.
What are the key properties of 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine?
5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine has a molecular weight of 190.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-ethenyl-N-methylpyridin-2-imine is sourced from PubChem (CID 144513560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).