2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine

C11H22N2 — CID 121220915

IUPAC2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
SMILESCC(C)N1CCC2CCCCN2C1
InChIInChI=1S/C11H22N2/c1-10(2)12-8-6-11-5-3-4-7-13(11)9-12/h10-11H,3-9H2,1-2H3
InChIKeyFLROKWPFMAJPRV-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.91
Rot. Bonds1

About 2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine

2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine (PubChem CID 121220915) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
PubChem CID121220915
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
SMILESCC(C)N1CCC2CCCCN2C1
InChIInChI=1S/C11H22N2/c1-10(2)12-8-6-11-5-3-4-7-13(11)9-12/h10-11H,3-9H2,1-2H3
InChIKeyFLROKWPFMAJPRV-UHFFFAOYSA-N
XLogP1.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
The IUPAC name of 2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine (CID 121220915) is 2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine.
What is the SMILES notation for 2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
The canonical SMILES for 2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine is CC(C)N1CCC2CCCCN2C1.
What is the InChIKey of 2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
The InChIKey is FLROKWPFMAJPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)12-8-6-11-5-3-4-7-13(11)9-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine?
2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine has a molecular weight of 182.31 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine is sourced from PubChem (CID 121220915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).