3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine

C13H19N3 — CID 62470342

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CC2CCC1C2
InChIInChI=1S/C13H19N3/c1-14-13-11(3-2-6-15-13)9-16-8-10-4-5-12(16)7-10/h2-3,6,10,12H,4-5,7-9H2,1H3,(H,14,15)
InChIKeyNXCSADANJIGZKZ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.11
Rot. Bonds3

About 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine

3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine (PubChem CID 62470342) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine
PubChem CID62470342
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CC2CCC1C2
InChIInChI=1S/C13H19N3/c1-14-13-11(3-2-6-15-13)9-16-8-10-4-5-12(16)7-10/h2-3,6,10,12H,4-5,7-9H2,1H3,(H,14,15)
InChIKeyNXCSADANJIGZKZ-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine (CID 62470342) is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine is CNc1ncccc1CN1CC2CCC1C2.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine?
The InChIKey is NXCSADANJIGZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-14-13-11(3-2-6-15-13)9-16-8-10-4-5-12(16)7-10/h2-3,6,10,12H,4-5,7-9H2,1H3,(H,14,15).
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine?
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62470342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).