2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine

C12H20N2 — CID 166764270

IUPAC2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine
SMILESCC1CCN2CCCCCC=CC2=N1
InChIInChI=1S/C12H20N2/c1-11-8-10-14-9-6-4-2-3-5-7-12(14)13-11/h5,7,11H,2-4,6,8-10H2,1H3
InChIKeySOGJXPSBFMBCPN-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.61
Rot. Bonds

About 2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine

2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine (PubChem CID 166764270) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine.

Molecular Properties

Compound Name2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine
PubChem CID166764270
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine
SMILESCC1CCN2CCCCCC=CC2=N1
InChIInChI=1S/C12H20N2/c1-11-8-10-14-9-6-4-2-3-5-7-12(14)13-11/h5,7,11H,2-4,6,8-10H2,1H3
InChIKeySOGJXPSBFMBCPN-UHFFFAOYSA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine?
The IUPAC name of 2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine (CID 166764270) is 2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine.
What is the SMILES notation for 2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine?
The canonical SMILES for 2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine is CC1CCN2CCCCCC=CC2=N1.
What is the InChIKey of 2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine?
The InChIKey is SOGJXPSBFMBCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-8-10-14-9-6-4-2-3-5-7-12(14)13-11/h5,7,11H,2-4,6,8-10H2,1H3.
What are the key properties of 2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine?
2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine has a molecular weight of 192.31 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine is sourced from PubChem (CID 166764270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).