3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete

C14H24N2 — CID 159662384

IUPAC3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete
SMILESCC1=CC2CCC(C1)N2C.CC1=CN(C)C1
InChIInChI=1S/C9H15N.C5H9N/c1-7-5-8-3-4-9(6-7)10(8)2;1-5-3-6(2)4-5/h5,8-9H,3-4,6H2,1-2H3;3H,4H2,1-2H3
InChIKeyMSZBXZPHDPNURC-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.63
Rot. Bonds

About 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete

3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete (PubChem CID 159662384) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete.

Molecular Properties

Compound Name3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete
PubChem CID159662384
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete
SMILESCC1=CC2CCC(C1)N2C.CC1=CN(C)C1
InChIInChI=1S/C9H15N.C5H9N/c1-7-5-8-3-4-9(6-7)10(8)2;1-5-3-6(2)4-5/h5,8-9H,3-4,6H2,1-2H3;3H,4H2,1-2H3
InChIKeyMSZBXZPHDPNURC-UHFFFAOYSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete with MolForge

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

Launch Full Analysis

Related Compounds

3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene
CID 138582721
(1R)-8-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 142485728
trimethyl-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]oxy]silane
CID 10943782
3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 11956046
8-methyl-3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171975237
7-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-4H-quinolizine
CID 87899159
8-methyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171971785
4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)isoquinoline
CID 18689912
(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 12038243
N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide
CID 51005782
(1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol
CID 71050144
1-[6-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)naphthalen-2-yl]oxyethanethiol
CID 139927099

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete?
The IUPAC name of 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete (CID 159662384) is 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete.
What is the SMILES notation for 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete?
The canonical SMILES for 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete is CC1=CC2CCC(C1)N2C.CC1=CN(C)C1.
What is the InChIKey of 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete?
The InChIKey is MSZBXZPHDPNURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C5H9N/c1-7-5-8-3-4-9(6-7)10(8)2;1-5-3-6(2)4-5/h5,8-9H,3-4,6H2,1-2H3;3H,4H2,1-2H3.
What are the key properties of 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete?
3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete has a molecular weight of 220.36 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-8-azabicyclo[3.2.1]oct-2-ene;1,3-dimethyl-2H-azete is sourced from PubChem (CID 159662384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).