ethane;1-ethyl-3,4-dihydro-2H-pyridine

C9H19N — CID 156845529

IUPACethane;1-ethyl-3,4-dihydro-2H-pyridine
SMILESCC.CCN1C=CCCC1
InChIInChI=1S/C7H13N.C2H6/c1-2-8-6-4-3-5-7-8;1-2/h4,6H,2-3,5,7H2,1H3;1-2H3
InChIKeyWKGDOYWQBAXFJH-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.64
Rot. Bonds1

About ethane;1-ethyl-3,4-dihydro-2H-pyridine

ethane;1-ethyl-3,4-dihydro-2H-pyridine (PubChem CID 156845529) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;1-ethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;1-ethyl-3,4-dihydro-2H-pyridine
PubChem CID156845529
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;1-ethyl-3,4-dihydro-2H-pyridine
SMILESCC.CCN1C=CCCC1
InChIInChI=1S/C7H13N.C2H6/c1-2-8-6-4-3-5-7-8;1-2/h4,6H,2-3,5,7H2,1H3;1-2H3
InChIKeyWKGDOYWQBAXFJH-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclobutylmethyl)-3,4-dihydro-2H-pyridine
CID 14249872
1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole
CID 162060855
ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine
CID 145385716
molecular hydrogen;1-pentyl-2,3-dihydropyrrole
CID 174478625
cyclobutane;cyclobutene;cycloheptane;cycloheptene;cyclohexane;cyclohexene;cyclooctane;cyclooctene;cyclopentane;cyclopentene;ethane
CID 159907930
1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol
CID 163965444
1-(3-bromopropyl)-2,3-dihydropyrrole;hydrobromide
CID 67211813
cyclohexene;cyclopentane;propane
CID 142184271
(7Z)-1,3-dimethyl-2-methylidene-5,6-dihydro-4H-1,3-diazocine
CID 89005779
(8Z)-1-methyl-1-azacyclododec-8-ene
CID 155110698
1,3-diethyl-2H-imidazole;fluoroform
CID 174507741
1-ethyl-2,3,4,5-tetrahydroazocin-8-one
CID 71393782

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of ethane;1-ethyl-3,4-dihydro-2H-pyridine (CID 156845529) is ethane;1-ethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for ethane;1-ethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for ethane;1-ethyl-3,4-dihydro-2H-pyridine is CC.CCN1C=CCCC1.
What is the InChIKey of ethane;1-ethyl-3,4-dihydro-2H-pyridine?
The InChIKey is WKGDOYWQBAXFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-2-8-6-4-3-5-7-8;1-2/h4,6H,2-3,5,7H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-3,4-dihydro-2H-pyridine?
ethane;1-ethyl-3,4-dihydro-2H-pyridine has a molecular weight of 141.26 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 156845529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).