4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene

C16H21N — CID 142156501

IUPAC4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
SMILESCC1(C)C=C2C=C=CC(C)(C)/N=C\C2=CCC1
InChIInChI=1S/C16H21N/c1-15(2)9-5-8-14-12-17-16(3,4)10-6-7-13(14)11-15/h7-8,10-12H,5,9H2,1-4H3/b17-12-
InChIKeyKPVQGHHSKXCANI-ATVHPVEESA-N
MW227.35 g/mol
LogP4.23
Rot. Bonds

About 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene

4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene (PubChem CID 142156501) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene.

Molecular Properties

Compound Name4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
PubChem CID142156501
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
SMILESCC1(C)C=C2C=C=CC(C)(C)/N=C\C2=CCC1
InChIInChI=1S/C16H21N/c1-15(2)9-5-8-14-12-17-16(3,4)10-6-7-13(14)11-15/h7-8,10-12H,5,9H2,1-4H3/b17-12-
InChIKeyKPVQGHHSKXCANI-ATVHPVEESA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene 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

4,4-Dimethyl-10-propan-2-yl-3-azabicyclo[5.5.0]dodeca-1(12),2,5,7,9-pentaene
CID 90685841
2-Ethyl-2,4,7,7-tetramethylazocine
CID 90979377
2,2-Dimethyl-5-(2,4,4-trimethylpentan-2-yl)azepine
CID 129067643
(Z)-N,4,6,6-tetramethyl-2-(3-methylbut-2-en-2-yl)hept-2-en-1-imine
CID 132155974
1,6-Dimethyl-7-azabicyclo[4.2.1]nona-2,4,7-triene
CID 141847709
Ethane;4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene
CID 142156500
2,2-Dimethyl-6-(2-methylbutan-2-yl)-5-propan-2-ylazepine
CID 142268702
4-methyl-6-[(3E,5Z,7Z)-7-methylnona-3,5,7-trien-4-yl]-4-propylazepine
CID 142304888
8,8-dimethyl-4-propan-2-yl-1H-cyclohepta[c]pyrrole;ethane
CID 142420181
ethane;(3Z,5Z)-2,2,7,7-tetramethyl-4,5-di(propan-2-yl)azocine
CID 143746100
6-(2-methylbutan-2-yl)-2H-azepine
CID 143873827
6-(4,4-Dimethylcyclohepta-1,6-dien-1-yl)-2,2-dimethylazepine;ethane
CID 144703417

Frequently Asked Questions

What is the IUPAC name of 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene?
The IUPAC name of 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene (CID 142156501) is 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene.
What is the SMILES notation for 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene?
The canonical SMILES for 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene is CC1(C)C=C2C=C=CC(C)(C)/N=C\C2=CCC1.
What is the InChIKey of 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene?
The InChIKey is KPVQGHHSKXCANI-ATVHPVEESA-N. The full InChI is InChI=1S/C16H21N/c1-15(2)9-5-8-14-12-17-16(3,4)10-6-7-13(14)11-15/h7-8,10-12H,5,9H2,1-4H3/b17-12-.
What are the key properties of 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene?
4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene has a molecular weight of 227.35 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,10,10-tetramethyl-3-azabicyclo[6.5.0]trideca-1(13),2,5,6,8-pentaene is sourced from PubChem (CID 142156501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).