ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine

C12H26N2 — CID 143809339

IUPACethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine
SMILESCC.CC.CC1=NCC2CCCCN12
InChIInChI=1S/C8H14N2.2C2H6/c1-7-9-6-8-4-2-3-5-10(7)8;2*1-2/h8H,2-6H2,1H3;2*1-2H3
InChIKeyYEAWJBSQBSCMMP-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.33
Rot. Bonds

About ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine

ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine (PubChem CID 143809339) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine
PubChem CID143809339
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine
SMILESCC.CC.CC1=NCC2CCCCN12
InChIInChI=1S/C8H14N2.2C2H6/c1-7-9-6-8-4-2-3-5-10(7)8;2*1-2/h8H,2-6H2,1H3;2*1-2H3
InChIKeyYEAWJBSQBSCMMP-UHFFFAOYSA-N
XLogP3.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole
CID 59794258
ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine
CID 142067445
(8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
CID 138050008
(8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
CID 166265063
1-hydroxy-4-methyl-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-2,11-dione
CID 135456817
4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 81136966
4-methylidene-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepine
CID 123590457
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
4-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
CID 22670654
12,16-dimethyl-2,11,15,17-tetrazatetracyclo[8.7.1.02,8.014,18]octadeca-1(17),10,12,14(18),15-pentaene;ethane
CID 172597725
3-methyl-2-pentyl-1,5,6,7,8,8a-hexahydroindolizine
CID 129147701

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine?
The IUPAC name of ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine (CID 143809339) is ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine?
The canonical SMILES for ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine is CC.CC.CC1=NCC2CCCCN12.
What is the InChIKey of ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine?
The InChIKey is YEAWJBSQBSCMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C2H6/c1-7-9-6-8-4-2-3-5-10(7)8;2*1-2/h8H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine?
ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine has a molecular weight of 198.35 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 143809339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).