ethane;2-ethyl-3,4-dihydropyridine

C9H17N — CID 143629885

IUPACethane;2-ethyl-3,4-dihydropyridine
SMILESCC.CCC1=NC=CCC1
InChIInChI=1S/C7H11N.C2H6/c1-2-7-5-3-4-6-8-7;1-2/h4,6H,2-3,5H2,1H3;1-2H3
InChIKeySBYYXIHASAPYAW-UHFFFAOYSA-N
MW139.24 g/mol
LogP3.17
Rot. Bonds1

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

ethane;2-ethyl-3,4-dihydropyridine (PubChem CID 143629885) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is ethane;2-ethyl-3,4-dihydropyridine.

Molecular Properties

Compound Nameethane;2-ethyl-3,4-dihydropyridine
PubChem CID143629885
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Nameethane;2-ethyl-3,4-dihydropyridine
SMILESCC.CCC1=NC=CCC1
InChIInChI=1S/C7H11N.C2H6/c1-2-7-5-3-4-6-8-7;1-2/h4,6H,2-3,5H2,1H3;1-2H3
InChIKeySBYYXIHASAPYAW-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydropyridin-2-ylmethanamine
CID 122591931
ethane;2-ethyl-3H-pyrrole;propane
CID 171562713
2-(3,4-dihydropyridin-2-yl)acetonitrile
CID 142862897
2-propylsulfanyl-3,4-dihydropyridine
CID 91276382
3-ethyl-1,2-dihydropyrazine
CID 154535463
1-(3,4-dihydropyridin-2-yl)ethanone
CID 147075759
2-(1-ethoxyethenylsulfanyl)-3,4-dihydropyridine
CID 90737378
ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene
CID 169195757
2-(2,2-dimethylpropyl)-3H-pyrrole
CID 58530741
5-ethyl-4H-imidazole
CID 58352499
2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridine
CID 164529247
(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine
CID 89188349

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3,4-dihydropyridine?
The IUPAC name of ethane;2-ethyl-3,4-dihydropyridine (CID 143629885) is ethane;2-ethyl-3,4-dihydropyridine.
What is the SMILES notation for ethane;2-ethyl-3,4-dihydropyridine?
The canonical SMILES for ethane;2-ethyl-3,4-dihydropyridine is CC.CCC1=NC=CCC1.
What is the InChIKey of ethane;2-ethyl-3,4-dihydropyridine?
The InChIKey is SBYYXIHASAPYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C2H6/c1-2-7-5-3-4-6-8-7;1-2/h4,6H,2-3,5H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-3,4-dihydropyridine?
ethane;2-ethyl-3,4-dihydropyridine has a molecular weight of 139.24 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3,4-dihydropyridine is sourced from PubChem (CID 143629885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).