1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine

C15H24N4 — CID 83127559

IUPAC1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(N2CCC3CCC(C2)N3C)cn1
InChIInChI=1S/C15H24N4/c1-11(16)15-6-5-13(9-17-15)19-8-7-12-3-4-14(10-19)18(12)2/h5-6,9,11-12,14H,3-4,7-8,10,16H2,1-2H3
InChIKeyQHRVCHOJFOHZPW-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.77
Rot. Bonds2

About 1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine

1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine (PubChem CID 83127559) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine
PubChem CID83127559
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine
SMILESCC(N)c1ccc(N2CCC3CCC(C2)N3C)cn1
InChIInChI=1S/C15H24N4/c1-11(16)15-6-5-13(9-17-15)19-8-7-12-3-4-14(10-19)18(12)2/h5-6,9,11-12,14H,3-4,7-8,10,16H2,1-2H3
InChIKeyQHRVCHOJFOHZPW-UHFFFAOYSA-N
XLogP1.77
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine (CID 83127559) is 1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine is CC(N)c1ccc(N2CCC3CCC(C2)N3C)cn1.
What is the InChIKey of 1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine?
The InChIKey is QHRVCHOJFOHZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11(16)15-6-5-13(9-17-15)19-8-7-12-3-4-14(10-19)18(12)2/h5-6,9,11-12,14H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine?
1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83127559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).