3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane

C15H26N2 — CID 106314982

IUPAC3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
SMILESCC1=CCCN(CCC2CC3CCC(C2)N3)C1
InChIInChI=1S/C15H26N2/c1-12-3-2-7-17(11-12)8-6-13-9-14-4-5-15(10-13)16-14/h3,13-16H,2,4-11H2,1H3
InChIKeyKUCITNJLDYLQTM-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.56
Rot. Bonds3

About 3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane

3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane (PubChem CID 106314982) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
PubChem CID106314982
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
SMILESCC1=CCCN(CCC2CC3CCC(C2)N3)C1
InChIInChI=1S/C15H26N2/c1-12-3-2-7-17(11-12)8-6-13-9-14-4-5-15(10-13)16-14/h3,13-16H,2,4-11H2,1H3
InChIKeyKUCITNJLDYLQTM-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
CID 53316629
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 79611628
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 106315052
3-[2-(4,4-diethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
CID 79614848
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
CID 79615695
2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]piperazin-1-yl]-1,3-thiazole
CID 79611595
2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79611622
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine
CID 106316734
1-[(E)-3-chloroprop-2-enyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 131244227
N-[[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 106316630
2-(8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 79614840
4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
CID 106314952

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane (CID 106314982) is 3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane is CC1=CCCN(CCC2CC3CCC(C2)N3)C1.
What is the InChIKey of 3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is KUCITNJLDYLQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12-3-2-7-17(11-12)8-6-13-9-14-4-5-15(10-13)16-14/h3,13-16H,2,4-11H2,1H3.
What are the key properties of 3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane?
3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 234.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 106314982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).