3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane

C13H19N3 — CID 175732632

IUPAC3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)N2Cc1cccnc1
InChIInChI=1S/C13H19N3/c1-15-9-12-4-5-13(10-15)16(12)8-11-3-2-6-14-7-11/h2-3,6-7,12-13H,4-5,8-10H2,1H3
InChIKeyOMLIZROKKCMHIT-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.36
Rot. Bonds2

About 3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane

3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 175732632) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID175732632
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)N2Cc1cccnc1
InChIInChI=1S/C13H19N3/c1-15-9-12-4-5-13(10-15)16(12)8-11-3-2-6-14-7-11/h2-3,6-7,12-13H,4-5,8-10H2,1H3
InChIKeyOMLIZROKKCMHIT-UHFFFAOYSA-N
XLogP1.36
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233276
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712920
11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 56794347
(1R,5S)-3-methyl-8-(pyridin-3-ylmethoxy)-3-azabicyclo[3.2.1]octane
CID 129269369
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 167693775
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
3-[(3-bromo-2-methylpiperidin-1-yl)methyl]pyridine
CID 130756994
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
(4aR,7aS)-1-(2-methoxyethyl)-4-(pyridin-3-ylmethyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70742901
(1R,5R)-8-(pyridin-3-ylmethyl)-3-(pyrrolo[2,3-c]pyridin-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98063435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane (CID 175732632) is 3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane is CN1CC2CCC(C1)N2Cc1cccnc1.
What is the InChIKey of 3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is OMLIZROKKCMHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-15-9-12-4-5-13(10-15)16(12)8-11-3-2-6-14-7-11/h2-3,6-7,12-13H,4-5,8-10H2,1H3.
What are the key properties of 3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane?
3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 217.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 175732632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).