[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine

C14H21N3 — CID 82242881

IUPAC[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESNCC1CC2CCC(C1)N2Cc1ccccn1
InChIInChI=1S/C14H21N3/c15-9-11-7-13-4-5-14(8-11)17(13)10-12-3-1-2-6-16-12/h1-3,6,11,13-14H,4-5,7-10,15H2
InChIKeyLIFFFTDEINIYCP-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.78
Rot. Bonds3

About [8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine

[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine (PubChem CID 82242881) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is [8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine.

Molecular Properties

Compound Name[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
PubChem CID82242881
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESNCC1CC2CCC(C1)N2Cc1ccccn1
InChIInChI=1S/C14H21N3/c15-9-11-7-13-4-5-14(8-11)17(13)10-12-3-1-2-6-16-12/h1-3,6,11,13-14H,4-5,7-10,15H2
InChIKeyLIFFFTDEINIYCP-UHFFFAOYSA-N
XLogP1.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The IUPAC name of [8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine (CID 82242881) is [8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine.
What is the SMILES notation for [8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The canonical SMILES for [8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine is NCC1CC2CCC(C1)N2Cc1ccccn1.
What is the InChIKey of [8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The InChIKey is LIFFFTDEINIYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-9-11-7-13-4-5-14(8-11)17(13)10-12-3-1-2-6-16-12/h1-3,6,11,13-14H,4-5,7-10,15H2.
What are the key properties of [8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine has a molecular weight of 231.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine is sourced from PubChem (CID 82242881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).