8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C13H19N3 — CID 61233276

IUPAC8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cccnc1
InChIInChI=1S/C13H19N3/c14-11-6-12-3-4-13(7-11)16(12)9-10-2-1-5-15-8-10/h1-2,5,8,11-13H,3-4,6-7,9,14H2
InChIKeyXZBPTULNMOKYGD-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.54
Rot. Bonds2

About 8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233276) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233276
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cccnc1
InChIInChI=1S/C13H19N3/c14-11-6-12-3-4-13(7-11)16(12)9-10-2-1-5-15-8-10/h1-2,5,8,11-13H,3-4,6-7,9,14H2
InChIKeyXZBPTULNMOKYGD-UHFFFAOYSA-N
XLogP1.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712920
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712043
3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 175732632
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114084592
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 56794347
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 12832203

Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61233276) is 8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2Cc1cccnc1.
What is the InChIKey of 8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XZBPTULNMOKYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-11-6-12-3-4-13(7-11)16(12)9-10-2-1-5-15-8-10/h1-2,5,8,11-13H,3-4,6-7,9,14H2.
What are the key properties of 8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 217.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).