2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine

C10H18N2 — CID 118524277

IUPAC2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
SMILESCCC1CCN2C=CCCC2N1
InChIInChI=1S/C10H18N2/c1-2-9-6-8-12-7-4-3-5-10(12)11-9/h4,7,9-11H,2-3,5-6,8H2,1H3
InChIKeyJOSKBROZGUSOGM-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.69
Rot. Bonds1

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

2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine (PubChem CID 118524277) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
PubChem CID118524277
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine
SMILESCCC1CCN2C=CCCC2N1
InChIInChI=1S/C10H18N2/c1-2-9-6-8-12-7-4-3-5-10(12)11-9/h4,7,9-11H,2-3,5-6,8H2,1H3
InChIKeyJOSKBROZGUSOGM-UHFFFAOYSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine (CID 118524277) is 2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine is CCC1CCN2C=CCCC2N1.
What is the InChIKey of 2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
The InChIKey is JOSKBROZGUSOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-9-6-8-12-7-4-3-5-10(12)11-9/h4,7,9-11H,2-3,5-6,8H2,1H3.
What are the key properties of 2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine?
2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine has a molecular weight of 166.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,4,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 118524277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).