6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane

C11H19N — CID 155037205

IUPAC6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane
SMILESC=C1CCCN(C(C)C)C2CC12
InChIInChI=1S/C11H19N/c1-8(2)12-6-4-5-9(3)10-7-11(10)12/h8,10-11H,3-7H2,1-2H3
InChIKeyCBOYMPOBVNLIGU-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.44
Rot. Bonds1

About 6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane

6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane (PubChem CID 155037205) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane.

Molecular Properties

Compound Name6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane
PubChem CID155037205
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane
SMILESC=C1CCCN(C(C)C)C2CC12
InChIInChI=1S/C11H19N/c1-8(2)12-6-4-5-9(3)10-7-11(10)12/h8,10-11H,3-7H2,1-2H3
InChIKeyCBOYMPOBVNLIGU-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.44
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

(2R)-1-fluoro-2-(3-methylbut-1-en-2-yl)-3-propan-2-yl-3-azabicyclo[5.1.0]octane
CID 178930601
(4R)-5,5-difluoro-4-(3-methylbut-1-en-2-yl)-3-propan-2-yl-3-azabicyclo[5.1.0]octane
CID 178932545
(3R)-2-fluoro-3-(3-methylbut-1-en-2-yl)-4-propan-2-yl-4-azabicyclo[5.1.0]octane
CID 178933621
2-Ethyl-5-prop-1-en-2-yl-2-azabicyclo[5.1.0]octane
CID 90755227
4-cyclopropyl-N-propan-2-yl-N-propylpent-4-en-1-amine
CID 167231560

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane?
The IUPAC name of 6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane (CID 155037205) is 6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane.
What is the SMILES notation for 6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane?
The canonical SMILES for 6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane is C=C1CCCN(C(C)C)C2CC12.
What is the InChIKey of 6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane?
The InChIKey is CBOYMPOBVNLIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)12-6-4-5-9(3)10-7-11(10)12/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane?
6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane has a molecular weight of 165.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2-propan-2-yl-2-azabicyclo[5.1.0]octane is sourced from PubChem (CID 155037205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).