ethane;5-methyl-2,3-dihydropyridine

C8H15N — CID 91099222

IUPACethane;5-methyl-2,3-dihydropyridine
SMILESCC.CC1=CCCN=C1
InChIInChI=1S/C6H9N.C2H6/c1-6-3-2-4-7-5-6;1-2/h3,5H,2,4H2,1H3;1-2H3
InChIKeyJLZRBGHQMQKRHE-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds

About ethane;5-methyl-2,3-dihydropyridine

ethane;5-methyl-2,3-dihydropyridine (PubChem CID 91099222) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is ethane;5-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Nameethane;5-methyl-2,3-dihydropyridine
PubChem CID91099222
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameethane;5-methyl-2,3-dihydropyridine
SMILESCC.CC1=CCCN=C1
InChIInChI=1S/C6H9N.C2H6/c1-6-3-2-4-7-5-6;1-2/h3,5H,2,4H2,1H3;1-2H3
InChIKeyJLZRBGHQMQKRHE-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;5-methyl-2,3-dihydropyridine 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

4-Methyl-2,3-dihydropyridine
CID 53634680
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
4-(2-fluoroethyl)-3H-pyridin-1-ium
CID 57261287
3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
2-Fluoro-4-methyl-2,3-dihydropyridine
CID 90817887
5-(Fluoromethyl)-2,3-dihydropyridine
CID 91586343
5-fluoro-3-methyl-3-prop-1-enyl-2H-pyridine
CID 123399564
3-fluoro-2,2,5-trimethyl-3H-pyridine
CID 123896833
6-Fluoro-5-methyl-2,3-dihydropyridine
CID 123899309
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine
CID 137467801
3-Methyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 138629227

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2,3-dihydropyridine?
The IUPAC name of ethane;5-methyl-2,3-dihydropyridine (CID 91099222) is ethane;5-methyl-2,3-dihydropyridine.
What is the SMILES notation for ethane;5-methyl-2,3-dihydropyridine?
The canonical SMILES for ethane;5-methyl-2,3-dihydropyridine is CC.CC1=CCCN=C1.
What is the InChIKey of ethane;5-methyl-2,3-dihydropyridine?
The InChIKey is JLZRBGHQMQKRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C2H6/c1-6-3-2-4-7-5-6;1-2/h3,5H,2,4H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2,3-dihydropyridine?
ethane;5-methyl-2,3-dihydropyridine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2,3-dihydropyridine is sourced from PubChem (CID 91099222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).