azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene

C12H19N — CID 23083790

IUPACazane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene
SMILESCC(C)c1c2ccc-2c1C(C)C.N
InChIInChI=1S/C12H16.H3N/c1-7(2)11-9-5-6-10(9)12(11)8(3)4;/h5-8H,1-4H3;1H3
InChIKeyYHZLKNNAVFZYTO-UHFFFAOYSA-N
MW177.29 g/mol
LogP4.08
Rot. Bonds2

About azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene

azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 23083790) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameazane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID23083790
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameazane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene
SMILESCC(C)c1c2ccc-2c1C(C)C.N
InChIInChI=1S/C12H16.H3N/c1-7(2)11-9-5-6-10(9)12(11)8(3)4;/h5-8H,1-4H3;1H3
InChIKeyYHZLKNNAVFZYTO-UHFFFAOYSA-N
XLogP4.08
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene 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 azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene (CID 23083790) is azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene is CC(C)c1c2ccc-2c1C(C)C.N.
What is the InChIKey of azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is YHZLKNNAVFZYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.H3N/c1-7(2)11-9-5-6-10(9)12(11)8(3)4;/h5-8H,1-4H3;1H3.
What are the key properties of azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene?
azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 177.29 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 23083790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).