2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene

C12H22N2 — CID 144662393

IUPAC2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene
SMILESCC(C)CN1C(C)C2C=CC(N2)C1C
InChIInChI=1S/C12H22N2/c1-8(2)7-14-9(3)11-5-6-12(13-11)10(14)4/h5-6,8-13H,7H2,1-4H3
InChIKeyRSHUOUBZGLHFBU-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.63
Rot. Bonds2

About 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene

2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene (PubChem CID 144662393) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene
PubChem CID144662393
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene
SMILESCC(C)CN1C(C)C2C=CC(N2)C1C
InChIInChI=1S/C12H22N2/c1-8(2)7-14-9(3)11-5-6-12(13-11)10(14)4/h5-6,8-13H,7H2,1-4H3
InChIKeyRSHUOUBZGLHFBU-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene (CID 144662393) is 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene is CC(C)CN1C(C)C2C=CC(N2)C1C.
What is the InChIKey of 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene?
The InChIKey is RSHUOUBZGLHFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-8(2)7-14-9(3)11-5-6-12(13-11)10(14)4/h5-6,8-13H,7H2,1-4H3.
What are the key properties of 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene?
2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene has a molecular weight of 194.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(2-methylpropyl)-3,8-diazabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 144662393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).