ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine

C14H30N2 — CID 143895813

IUPACethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine
SMILESCC.CC.CC.CC1CNC2C=CC=CN12
InChIInChI=1S/C8H12N2.3C2H6/c1-7-6-9-8-4-2-3-5-10(7)8;3*1-2/h2-5,7-9H,6H2,1H3;3*1-2H3
InChIKeyJQKOYVHRDXTVCM-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.77
Rot. Bonds

About ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine

ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 143895813) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine
PubChem CID143895813
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine
SMILESCC.CC.CC.CC1CNC2C=CC=CN12
InChIInChI=1S/C8H12N2.3C2H6/c1-7-6-9-8-4-2-3-5-10(7)8;3*1-2/h2-5,7-9H,6H2,1H3;3*1-2H3
InChIKeyJQKOYVHRDXTVCM-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine (CID 143895813) is ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine is CC.CC.CC.CC1CNC2C=CC=CN12.
What is the InChIKey of ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is JQKOYVHRDXTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.3C2H6/c1-7-6-9-8-4-2-3-5-10(7)8;3*1-2/h2-5,7-9H,6H2,1H3;3*1-2H3.
What are the key properties of ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine?
ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 226.41 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 143895813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).