3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane

C13H19N — CID 70131758

IUPAC3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(C1=CC=CC1)C2
InChIInChI=1S/C13H19N/c1-14-12-6-7-13(14)9-11(8-12)10-4-2-3-5-10/h2-4,11-13H,5-9H2,1H3
InChIKeyGZDYGCKPWAFODP-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.75
Rot. Bonds1

About 3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane

3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 70131758) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID70131758
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(C1=CC=CC1)C2
InChIInChI=1S/C13H19N/c1-14-12-6-7-13(14)9-11(8-12)10-4-2-3-5-10/h2-4,11-13H,5-9H2,1H3
InChIKeyGZDYGCKPWAFODP-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1E,3Z,5Z)-3-(1-fluoroethyl)hepta-1,3,5-trienyl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 89022338
8-[(2S)-3-[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]-2-methylpropyl]-3-pentyl-8-azabicyclo[3.2.1]octane
CID 141149170
8-[(2S)-3-[(1R)-cyclohexa-2,4-dien-1-yl]-2-methylpropyl]-6-fluoro-3-pentyl-8-azabicyclo[3.2.1]octane
CID 141149187
3-butyl-8-[(2S)-3-[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]-2-methylpropyl]-8-azabicyclo[3.2.1]octane
CID 141149189
8-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-2-methyl-8-azabicyclo[3.2.1]octane
CID 144347247
2-[(4Z)-6-fluoro-2-methyl-3-methylidenehepta-4,6-dienyl]-1-propan-2-ylpyrrolidine
CID 145351260
2-ethyl-6-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-2-azabicyclo[2.2.1]hept-5-ene
CID 177350587
anti-11-Aza-11-methyltricyclo[4.3.1.12,5]undec-7-ene
CID 49852256
(5S,8S,8aR)-5-[(4E)-hepta-4,6-dienyl]-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 5323949
(5R,8R,8aS)-5-((Z)-Hepta-4,6-dien-1-yl)-8-methyloctahydroindolizine
CID 91716155
(5R,8R,8aS)-8-Ethyl-5-((Z)-pent-3-en-1-yl)octahydroindolizine
CID 91721225
(5S,8R,8aS)-8-Ethyl-5-((Z)-penta-2,4-dien-1-yl)octahydroindolizine
CID 91721266

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane (CID 70131758) is 3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(C1=CC=CC1)C2.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is GZDYGCKPWAFODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-14-12-6-7-13(14)9-11(8-12)10-4-2-3-5-10/h2-4,11-13H,5-9H2,1H3.
What are the key properties of 3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane?
3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 189.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-yl-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 70131758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).