3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene

C8H13N — CID 138582724

IUPAC3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene
SMILESCC1=C2CC1CN(C)C2
InChIInChI=1S/C8H13N/c1-6-7-3-8(6)5-9(2)4-7/h7H,3-5H2,1-2H3
InChIKeyUEXZMVIIXWSZSL-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.27
Rot. Bonds

About 3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene

3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene (PubChem CID 138582724) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene.

Molecular Properties

Compound Name3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene
PubChem CID138582724
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene
SMILESCC1=C2CC1CN(C)C2
InChIInChI=1S/C8H13N/c1-6-7-3-8(6)5-9(2)4-7/h7H,3-5H2,1-2H3
InChIKeyUEXZMVIIXWSZSL-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.27
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

6-methylbicyclo[3.1.1]hept-1(6)-ene
CID 143372667
(1S)-3-methyl-3-azabicyclo[4.1.0]hept-5-ene
CID 163516716
2-methyl-1,3,3a,4-tetrahydroisoindole
CID 66962228
[4-(1-methylazetidin-3-yl)phenyl]methanamine
CID 83827683
4-(1-methylazetidin-3-yl)phenol
CID 84651703
10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
CID 171606142
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
4-hydroxy-1-methylpyrrolidin-3-one
CID 58116879
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
1-[4-(1-methylazetidin-3-yl)phenyl]propan-2-ol
CID 117294180
(1-methyl-5-methylidenepiperidin-3-yl)methanol
CID 130127483
4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde
CID 57319480

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene?
The IUPAC name of 3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene (CID 138582724) is 3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene.
What is the SMILES notation for 3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene?
The canonical SMILES for 3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene is CC1=C2CC1CN(C)C2.
What is the InChIKey of 3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene?
The InChIKey is UEXZMVIIXWSZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6-7-3-8(6)5-9(2)4-7/h7H,3-5H2,1-2H3.
What are the key properties of 3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene?
3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene has a molecular weight of 123.20 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-azabicyclo[3.1.1]hept-1(6)-ene is sourced from PubChem (CID 138582724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).