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

C13H24N2 — CID 141455141

IUPAC9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCCCCCC1CCCN2CCCN=C12
InChIInChI=1S/C13H24N2/c1-2-3-4-7-12-8-5-10-15-11-6-9-14-13(12)15/h12H,2-11H2,1H3
InChIKeyYDPHOZPLQPPPLW-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.08
Rot. Bonds4

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

9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (PubChem CID 141455141) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
PubChem CID141455141
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine
SMILESCCCCCC1CCCN2CCCN=C12
InChIInChI=1S/C13H24N2/c1-2-3-4-7-12-8-5-10-15-11-6-9-14-13(12)15/h12H,2-11H2,1H3
InChIKeyYDPHOZPLQPPPLW-UHFFFAOYSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 606438
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CID 14457265
CID 14457265
CID 20688198
CID 20688198
CID 22670655
CID 22670655
CID 22670666
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CID 58914533
CID 58914533
CID 60079170
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CID 68025679
CID 68025679

Frequently Asked Questions

What is the IUPAC name of 9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine (CID 141455141) is 9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is CCCCCC1CCCN2CCCN=C12.
What is the InChIKey of 9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is YDPHOZPLQPPPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-3-4-7-12-8-5-10-15-11-6-9-14-13(12)15/h12H,2-11H2,1H3.
What are the key properties of 9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine?
9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 208.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pentyl-3,4,6,7,8,9-hexahydro-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141455141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).