9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine

C12H22N2 — CID 141370146

IUPAC9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCCCCC1CCCN2CCCN=C12
InChIInChI=1S/C12H22N2/c1-2-3-6-11-7-4-9-14-10-5-8-13-12(11)14/h11H,2-10H2,1H3
InChIKeyIYPBXZFIVTZLBM-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.69
Rot. Bonds3

About 9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine

9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (PubChem CID 141370146) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
PubChem CID141370146
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCCCCC1CCCN2CCCN=C12
InChIInChI=1S/C12H22N2/c1-2-3-6-11-7-4-9-14-10-5-8-13-12(11)14/h11H,2-10H2,1H3
InChIKeyIYPBXZFIVTZLBM-UHFFFAOYSA-N
XLogP2.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (CID 141370146) is 9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is CCCCC1CCCN2CCCN=C12.
What is the InChIKey of 9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is IYPBXZFIVTZLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-3-6-11-7-4-9-14-10-5-8-13-12(11)14/h11H,2-10H2,1H3.
What are the key properties of 9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 194.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141370146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).