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

C14H22N4 — CID 113320423

IUPAC[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine
SMILESCN1C2CCC1CN(c1ccc(CN)nc1)CC2
InChIInChI=1S/C14H22N4/c1-17-12-4-5-14(17)10-18(7-6-12)13-3-2-11(8-15)16-9-13/h2-3,9,12,14H,4-8,10,15H2,1H3
InChIKeyFXQOFCZCZPETCS-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.21
Rot. Bonds2

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

[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine (PubChem CID 113320423) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is [5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine
PubChem CID113320423
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine
SMILESCN1C2CCC1CN(c1ccc(CN)nc1)CC2
InChIInChI=1S/C14H22N4/c1-17-12-4-5-14(17)10-18(7-6-12)13-3-2-11(8-15)16-9-13/h2-3,9,12,14H,4-8,10,15H2,1H3
InChIKeyFXQOFCZCZPETCS-UHFFFAOYSA-N
XLogP1.21
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine?
The IUPAC name of [5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine (CID 113320423) is [5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine is CN1C2CCC1CN(c1ccc(CN)nc1)CC2.
What is the InChIKey of [5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine?
The InChIKey is FXQOFCZCZPETCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-17-12-4-5-14(17)10-18(7-6-12)13-3-2-11(8-15)16-9-13/h2-3,9,12,14H,4-8,10,15H2,1H3.
What are the key properties of [5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine?
[5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine has a molecular weight of 246.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 113320423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).