2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane

C13H18N2 — CID 169153064

IUPAC2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane
SMILESCc1ccc(N2C3CCC(C)C2C3)cn1
InChIInChI=1S/C13H18N2/c1-9-3-5-11-7-13(9)15(11)12-6-4-10(2)14-8-12/h4,6,8-9,11,13H,3,5,7H2,1-2H3
InChIKeyKMLYBPCEEPLSEV-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.77
Rot. Bonds1

About 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane

2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane (PubChem CID 169153064) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane
PubChem CID169153064
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane
SMILESCc1ccc(N2C3CCC(C)C2C3)cn1
InChIInChI=1S/C13H18N2/c1-9-3-5-11-7-13(9)15(11)12-6-4-10(2)14-8-12/h4,6,8-9,11,13H,3,5,7H2,1-2H3
InChIKeyKMLYBPCEEPLSEV-UHFFFAOYSA-N
XLogP2.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,6S)-7-(6-methyl-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
CID 66757627
ethane;1-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 164882777
4-fluoro-1-(6-methyl-3-pyridinyl)piperidin-3-ol
CID 172576145
2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine
CID 123718410
4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.2.2]nonan-3-one
CID 134405896
4-(6-methyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
CID 69319605
5-(3-fluoropiperidin-1-yl)-2-methylpyridine
CID 156752811
ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol
CID 156652004
4-methyl-3-(6-methyl-3-pyridinyl)cyclohexan-1-amine
CID 165497311
1-(3,4-dimethylcyclohexyl)-3-methylpyrazole
CID 64738875
8-[6-[1-(methylamino)propyl]-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 115939641
(1R,5S)-6-(6-methyl-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
CID 66757631

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane?
The IUPAC name of 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane (CID 169153064) is 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane.
What is the SMILES notation for 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane?
The canonical SMILES for 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane is Cc1ccc(N2C3CCC(C)C2C3)cn1.
What is the InChIKey of 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane?
The InChIKey is KMLYBPCEEPLSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-3-5-11-7-13(9)15(11)12-6-4-10(2)14-8-12/h4,6,8-9,11,13H,3,5,7H2,1-2H3.
What are the key properties of 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane?
2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane has a molecular weight of 202.30 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(6-methyl-3-pyridinyl)-6-azabicyclo[3.1.1]heptane is sourced from PubChem (CID 169153064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).