3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine

C15H24N4 — CID 104535034

IUPAC3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine
SMILESCNc1cncc(NC2CC3CCCC(C2)N3C)c1
InChIInChI=1S/C15H24N4/c1-16-12-6-13(10-17-9-12)18-11-7-14-4-3-5-15(8-11)19(14)2/h6,9-11,14-16,18H,3-5,7-8H2,1-2H3
InChIKeyDCUOSTPWGGTVCU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.55
Rot. Bonds3

About 3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine

3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine (PubChem CID 104535034) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine
PubChem CID104535034
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine
SMILESCNc1cncc(NC2CC3CCCC(C2)N3C)c1
InChIInChI=1S/C15H24N4/c1-16-12-6-13(10-17-9-12)18-11-7-14-4-3-5-15(8-11)19(14)2/h6,9-11,14-16,18H,3-5,7-8H2,1-2H3
InChIKeyDCUOSTPWGGTVCU-UHFFFAOYSA-N
XLogP2.55
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine (CID 104535034) is 3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine is CNc1cncc(NC2CC3CCCC(C2)N3C)c1.
What is the InChIKey of 3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine?
The InChIKey is DCUOSTPWGGTVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-16-12-6-13(10-17-9-12)18-11-7-14-4-3-5-15(8-11)19(14)2/h6,9-11,14-16,18H,3-5,7-8H2,1-2H3.
What are the key properties of 3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine?
3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3,5-diamine is sourced from PubChem (CID 104535034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).