1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine

C16H26N4 — CID 80635204

IUPAC1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCC3CCC(C2)N3C)nc1
InChIInChI=1S/C16H26N4/c1-12(17)9-13-3-6-16(18-10-13)20-8-7-14-4-5-15(11-20)19(14)2/h3,6,10,12,14-15H,4-5,7-9,11,17H2,1-2H3
InChIKeyZGGLNOFUTIVEPP-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.64
Rot. Bonds3

About 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine

1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine (PubChem CID 80635204) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine
PubChem CID80635204
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCC3CCC(C2)N3C)nc1
InChIInChI=1S/C16H26N4/c1-12(17)9-13-3-6-16(18-10-13)20-8-7-14-4-5-15(11-20)19(14)2/h3,6,10,12,14-15H,4-5,7-9,11,17H2,1-2H3
InChIKeyZGGLNOFUTIVEPP-UHFFFAOYSA-N
XLogP1.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine with MolForge

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Related Compounds

1-[6-(3-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 113419282
1-[5-(2-aminopropyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 80634559
3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79098403
1-[6-(3,3-dimethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80635207
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170891147
1-[6-(3,3-diethylpyrrolidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80634327
1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine
CID 83127559
1-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633955
[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine
CID 113320423
N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 63169327
2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80634216
1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine
CID 80634441

Frequently Asked Questions

What is the IUPAC name of 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine (CID 80635204) is 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine is CC(N)Cc1ccc(N2CCC3CCC(C2)N3C)nc1.
What is the InChIKey of 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine?
The InChIKey is ZGGLNOFUTIVEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-12(17)9-13-3-6-16(18-10-13)20-8-7-14-4-5-15(11-20)19(14)2/h3,6,10,12,14-15H,4-5,7-9,11,17H2,1-2H3.
What are the key properties of 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine?
1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80635204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).