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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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).