4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene

C10H15N — CID 147683657

IUPAC4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene
SMILESC=C1NC2C=CC(C2)C1(C)C
InChIInChI=1S/C10H15N/c1-7-10(2,3)8-4-5-9(6-8)11-7/h4-5,8-9,11H,1,6H2,2-3H3
InChIKeyQQTKWCZVRZFDBS-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.07
Rot. Bonds

About 4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene

4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene (PubChem CID 147683657) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene
PubChem CID147683657
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene
SMILESC=C1NC2C=CC(C2)C1(C)C
InChIInChI=1S/C10H15N/c1-7-10(2,3)8-4-5-9(6-8)11-7/h4-5,8-9,11H,1,6H2,2-3H3
InChIKeyQQTKWCZVRZFDBS-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
CID 12616171
8,8-dimethyl-2-azabicyclo[2.2.2]oct-5-ene
CID 89369039
2-azabicyclo[3.2.1]oct-6-en-3-one
CID 142035509
2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol
CID 18622236
(1S,4S)-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 6931995
(1S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undec-9-ene
CID 135026576
3,6-dimethyl-2-methylidenepiperidin-3-amine
CID 143837564
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;methanol
CID 19065853
(1R,6S,8S)-4,12,12-trimethyl-11-methylidene-7-oxatricyclo[6.3.1.01,6]dodec-2-ene
CID 10353343
(1R,4S,6S,9R,12S,13R,14R)-14-methyl-8-oxapentacyclo[10.2.1.04,14.06,13.09,13]pentadec-2-ene
CID 51355492
(3S,8S,9aS)-3,5,5,8-tetramethyl-1,2,3,8,9,9a-hexahydrocyclopenta[8]annulene
CID 95565248
(1R,4R)-4'-methylidenespiro[bicyclo[2.2.1]hept-2-ene-7,3'-oxane]
CID 98162435

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene (CID 147683657) is 4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene is C=C1NC2C=CC(C2)C1(C)C.
What is the InChIKey of 4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene?
The InChIKey is QQTKWCZVRZFDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7-10(2,3)8-4-5-9(6-8)11-7/h4-5,8-9,11H,1,6H2,2-3H3.
What are the key properties of 4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene?
4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene has a molecular weight of 149.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 147683657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).