(2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine

C12H16N2 — CID 163250334

IUPAC(2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine
SMILESC=C/N=C1\C(C(C)C)=CC=N\C1=C\C
InChIInChI=1S/C12H16N2/c1-5-11-12(13-6-2)10(9(3)4)7-8-14-11/h5-9H,2H2,1,3-4H3/b11-5+,13-12+
InChIKeyUQVDPWKMUZSENA-JEWGOZGESA-N
MW188.27 g/mol
LogP3.14
Rot. Bonds2

About (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine

(2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine (PubChem CID 163250334) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine.

Molecular Properties

Compound Name(2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine
PubChem CID163250334
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine
SMILESC=C/N=C1\C(C(C)C)=CC=N\C1=C\C
InChIInChI=1S/C12H16N2/c1-5-11-12(13-6-2)10(9(3)4)7-8-14-11/h5-9H,2H2,1,3-4H3/b11-5+,13-12+
InChIKeyUQVDPWKMUZSENA-JEWGOZGESA-N
XLogP3.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-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

(2Z,6Z)-2,3-di(propan-2-yl)-1,5-diazocine
CID 58763006
[3-(2-methylpropylidene)-4H-pyridin-2-yl]methanamine
CID 70543434
3-(3,4-Dihydropyridin-5-yl)-2,3-dihydropyridine
CID 88987664
2-methyl-N-(5-methylcyclopenten-1-yl)propan-1-imine
CID 89211315
(7S)-7-methyl-7,8-dihydro-6H-pyrido[3,2-b]azepine
CID 90153623
N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
CID 91176798
10-Methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine
CID 91242003
2,3-Di(ethylidene)-4-propan-2-ylpyridine
CID 91324852
2-propan-2-yl-3-propan-2-ylidene-4H-pyridine
CID 118941642
N-methyl-3-[(Z)-2-[[(Z)-3-methylpent-2-enylidene]amino]ethenyl]hexan-2-imine
CID 123508740
N-methyl-1-(3-methyl-3,4-dihydropyridin-6-yl)pent-2-en-1-imine
CID 123534726
6-(3-Methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,4-dihydropyridine
CID 123650245

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine?
The IUPAC name of (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine (CID 163250334) is (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine.
What is the SMILES notation for (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine?
The canonical SMILES for (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine is C=C/N=C1\C(C(C)C)=CC=N\C1=C\C.
What is the InChIKey of (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine?
The InChIKey is UQVDPWKMUZSENA-JEWGOZGESA-N. The full InChI is InChI=1S/C12H16N2/c1-5-11-12(13-6-2)10(9(3)4)7-8-14-11/h5-9H,2H2,1,3-4H3/b11-5+,13-12+.
What are the key properties of (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine?
(2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine has a molecular weight of 188.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine is sourced from PubChem (CID 163250334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).