ethane;2-methyl-3,4-dihydropyridine

C8H15N — CID 142828306

IUPACethane;2-methyl-3,4-dihydropyridine
SMILESCC.CC1=NC=CCC1
InChIInChI=1S/C6H9N.C2H6/c1-6-4-2-3-5-7-6;1-2/h3,5H,2,4H2,1H3;1-2H3
InChIKeyHRKNOVMCIJZYAL-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds

About ethane;2-methyl-3,4-dihydropyridine

ethane;2-methyl-3,4-dihydropyridine (PubChem CID 142828306) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is ethane;2-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;2-methyl-3,4-dihydropyridine
PubChem CID142828306
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameethane;2-methyl-3,4-dihydropyridine
SMILESCC.CC1=NC=CCC1
InChIInChI=1S/C6H9N.C2H6/c1-6-4-2-3-5-7-6;1-2/h3,5H,2,4H2,1H3;1-2H3
InChIKeyHRKNOVMCIJZYAL-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Fluoro-2-methyl-3,4-dihydropyridine
CID 89117465
Ethane;2-(trifluoromethyl)-3,4-dihydropyridine
CID 144625238
4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
CID 146342859
2-(Fluoromethyl)-3,4-dihydropyridine
CID 166907541
3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
CID 171815544
2-Ethyl-3-fluoro-3,4-dihydropyridine
CID 142996668
N-[(Z)-but-1-enyl]-1-fluorobutan-2-imine
CID 142996705
6,6,6-trifluoro-N-[(Z)-prop-1-enyl]hex-1-en-3-imine
CID 144801051
2-Methyl-3,4-dihydropyridine
CID 14979252
2-Ethyl-3,4-dihydropyridine
CID 14979253
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
N-propan-2-yl-4H-pyridin-3-imine
CID 19384805

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3,4-dihydropyridine?
The IUPAC name of ethane;2-methyl-3,4-dihydropyridine (CID 142828306) is ethane;2-methyl-3,4-dihydropyridine.
What is the SMILES notation for ethane;2-methyl-3,4-dihydropyridine?
The canonical SMILES for ethane;2-methyl-3,4-dihydropyridine is CC.CC1=NC=CCC1.
What is the InChIKey of ethane;2-methyl-3,4-dihydropyridine?
The InChIKey is HRKNOVMCIJZYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C2H6/c1-6-4-2-3-5-7-6;1-2/h3,5H,2,4H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-3,4-dihydropyridine?
ethane;2-methyl-3,4-dihydropyridine has a molecular weight of 125.21 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3,4-dihydropyridine is sourced from PubChem (CID 142828306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).