3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane

C14H21N3 — CID 112651020

IUPAC3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1cccnc1CN1CCC2CCC(C1)N2
InChIInChI=1S/C14H21N3/c1-11-3-2-7-15-14(11)10-17-8-6-12-4-5-13(9-17)16-12/h2-3,7,12-13,16H,4-6,8-10H2,1H3
InChIKeyHODDSTOVPOLGDK-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.72
Rot. Bonds2

About 3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane

3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 112651020) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
PubChem CID112651020
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1cccnc1CN1CCC2CCC(C1)N2
InChIInChI=1S/C14H21N3/c1-11-3-2-7-15-14(11)10-17-8-6-12-4-5-13(9-17)16-12/h2-3,7,12-13,16H,4-6,8-10H2,1H3
InChIKeyHODDSTOVPOLGDK-UHFFFAOYSA-N
XLogP1.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine
CID 130684002
(4aS,8aR)-6-[(3-methyl-2-pyridinyl)methyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135641
(3aR,6aS)-5-[(3-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660794
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780
3-ethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64950792
N,6-dimethyl-N-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995115
3-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120842020
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)phenol
CID 115313739
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
3-[(4-chloro-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314484

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane (CID 112651020) is 3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane is Cc1cccnc1CN1CCC2CCC(C1)N2.
What is the InChIKey of 3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is HODDSTOVPOLGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11-3-2-7-15-14(11)10-17-8-6-12-4-5-13(9-17)16-12/h2-3,7,12-13,16H,4-6,8-10H2,1H3.
What are the key properties of 3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane?
3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 231.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 112651020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).