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

C12H22N2 — CID 141455143

IUPAC9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCC(C)CC1CCCN2CCCN=C12
InChIInChI=1S/C12H22N2/c1-10(2)9-11-5-3-7-14-8-4-6-13-12(11)14/h10-11H,3-9H2,1-2H3
InChIKeyVSDHOOQBBVSNRY-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.55
Rot. Bonds2

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

9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (PubChem CID 141455143) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
PubChem CID141455143
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCC(C)CC1CCCN2CCCN=C12
InChIInChI=1S/C12H22N2/c1-10(2)9-11-5-3-7-14-8-4-6-13-12(11)14/h10-11H,3-9H2,1-2H3
InChIKeyVSDHOOQBBVSNRY-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (CID 141455143) is 9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is CC(C)CC1CCCN2CCCN=C12.
What is the InChIKey of 9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is VSDHOOQBBVSNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)9-11-5-3-7-14-8-4-6-13-12(11)14/h10-11H,3-9H2,1-2H3.
What are the key properties of 9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 194.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropyl)-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141455143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).