9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H26N4 — CID 65470895

IUPAC9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCc1cc(NC2CC3CCCC(C2)N3C)ncn1
InChIInChI=1S/C16H26N4/c1-3-5-12-10-16(18-11-17-12)19-13-8-14-6-4-7-15(9-13)20(14)2/h10-11,13-15H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyYGGOLLHDBCNWTO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.86
Rot. Bonds4

About 9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65470895) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65470895
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCc1cc(NC2CC3CCCC(C2)N3C)ncn1
InChIInChI=1S/C16H26N4/c1-3-5-12-10-16(18-11-17-12)19-13-8-14-6-4-7-15(9-13)20(14)2/h10-11,13-15H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyYGGOLLHDBCNWTO-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 65470895) is 9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine is CCCc1cc(NC2CC3CCCC(C2)N3C)ncn1.
What is the InChIKey of 9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is YGGOLLHDBCNWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-5-12-10-16(18-11-17-12)19-13-8-14-6-4-7-15(9-13)20(14)2/h10-11,13-15H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 274.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(6-propylpyrimidin-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65470895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).