4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene

C14H23N — CID 101141414

IUPAC4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene
SMILESCC(C)(C)C1=NC2C1C=CC2C(C)(C)C
InChIInChI=1S/C14H23N/c1-13(2,3)10-8-7-9-11(10)15-12(9)14(4,5)6/h7-11H,1-6H3
InChIKeyNSLWUVUERPSLCK-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.70
Rot. Bonds

About 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene

4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene (PubChem CID 101141414) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene.

Molecular Properties

Compound Name4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene
PubChem CID101141414
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene
SMILESCC(C)(C)C1=NC2C1C=CC2C(C)(C)C
InChIInChI=1S/C14H23N/c1-13(2,3)10-8-7-9-11(10)15-12(9)14(4,5)6/h7-11H,1-6H3
InChIKeyNSLWUVUERPSLCK-UHFFFAOYSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene 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

(1S,4S,5R)-4,7-ditert-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 12014503
(1R,5S)-3,6-ditert-butyl-2-azabicyclo[3.2.0]hepta-2,6-diene
CID 14143771
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
6-tert-butyl-5-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 20752812
6-Cyclohept-4-en-1-yl-2,3,4,5-tetrahydropyridine
CID 53724743
7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
CID 57030181
2-tert-butyl-3-methyl-3a,7a-dihydro-3H-indole
CID 59346769
(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 70966118

Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene?
The IUPAC name of 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene (CID 101141414) is 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene.
What is the SMILES notation for 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene?
The canonical SMILES for 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene is CC(C)(C)C1=NC2C1C=CC2C(C)(C)C.
What is the InChIKey of 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene?
The InChIKey is NSLWUVUERPSLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-13(2,3)10-8-7-9-11(10)15-12(9)14(4,5)6/h7-11H,1-6H3.
What are the key properties of 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene?
4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene has a molecular weight of 205.34 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-ditert-butyl-6-azabicyclo[3.2.0]hepta-2,6-diene is sourced from PubChem (CID 101141414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).