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

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Related Compounds

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CID 175342244
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CID 90072599
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
5-chloro-4-propan-2-ylisoindole-1,3-dione
CID 170676311
4-phenyl-2-propan-2-ylbenzene-1,3-diamine
CID 141068208
3-propan-2-ylbenzene-1,2,4-triamine
CID 66850331
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
4-[2,3,4,5-tetra(propan-2-yl)phenyl]phenol
CID 175217725
1-(4-fluorophenyl)-2,4-dimethyl-3-propan-2-ylbenzene
CID 54376936
5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
CID 140664566
1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
CID 91401527
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925

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).