8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene

C10H17N — CID 122592781

IUPAC8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene
SMILESCC(C)N1C2C=CC1CCC2
InChIInChI=1S/C10H17N/c1-8(2)11-9-4-3-5-10(11)7-6-9/h6-10H,3-5H2,1-2H3
InChIKeyPIAOHXFVFYHKMT-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.19
Rot. Bonds1

About 8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene

8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene (PubChem CID 122592781) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene
PubChem CID122592781
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene
SMILESCC(C)N1C2C=CC1CCC2
InChIInChI=1S/C10H17N/c1-8(2)11-9-4-3-5-10(11)7-6-9/h6-10H,3-5H2,1-2H3
InChIKeyPIAOHXFVFYHKMT-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Tropene
CID 10772971
n,n-Diethylcyclohex-2-en-1-amine
CID 258777
1-(Cyclohex-2-en-1-yl)piperidine
CID 258780
8-Methyl-8-azabicyclo(3.2.1)oct-3-ene
CID 564942
1-(Cyclopent-2-en-1-yl)piperidine
CID 12296160
Trop-6-ene
CID 11029830
1-(Cyclohex-2-en-1-yl)pyrrolidine
CID 13623039
1-Ethyl-2-prop-2-enylpiperidine
CID 85661636
9-Methyl-9-azabicyclo[3.3.1]non-2-ene
CID 134896609
1,3,4,6,9,9a-Hexahydro-2H-quinolizine
CID 557967
1,3,4,6,7,9a-Hexahydro-2H-quinolizine
CID 585979
3,5,6,7,8,8a-Hexahydroindolizine
CID 13308887

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene (CID 122592781) is 8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene is CC(C)N1C2C=CC1CCC2.
What is the InChIKey of 8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene?
The InChIKey is PIAOHXFVFYHKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)11-9-4-3-5-10(11)7-6-9/h6-10H,3-5H2,1-2H3.
What are the key properties of 8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene?
8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene has a molecular weight of 151.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 122592781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).