1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine

C9H18N2 — CID 11126488

IUPAC1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine
SMILESCN1CCCN2CCCCC12
InChIInChI=1S/C9H18N2/c1-10-6-4-8-11-7-3-2-5-9(10)11/h9H,2-8H2,1H3
InChIKeyXCDCPIXOFYCHAA-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.13
Rot. Bonds

About 1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine

1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine (PubChem CID 11126488) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine
PubChem CID11126488
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine
SMILESCN1CCCN2CCCCC12
InChIInChI=1S/C9H18N2/c1-10-6-4-8-11-7-3-2-5-9(10)11/h9H,2-8H2,1H3
InChIKeyXCDCPIXOFYCHAA-UHFFFAOYSA-N
XLogP1.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine?
The IUPAC name of 1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine (CID 11126488) is 1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine.
What is the SMILES notation for 1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine?
The canonical SMILES for 1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine is CN1CCCN2CCCCC12.
What is the InChIKey of 1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine?
The InChIKey is XCDCPIXOFYCHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-10-6-4-8-11-7-3-2-5-9(10)11/h9H,2-8H2,1H3.
What are the key properties of 1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine?
1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine has a molecular weight of 154.26 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidine is sourced from PubChem (CID 11126488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).