tert-butylbenzene;molecular nitrogen

C10H14N2 — CID 146464751

IUPACtert-butylbenzene;molecular nitrogen
SMILESCC(C)(C)c1ccccc1.N#N
InChIInChI=1S/C10H14.N2/c1-10(2,3)9-7-5-4-6-8-9;1-2/h4-8H,1-3H3;
InChIKeyGQNVUVVEHAMVCH-UHFFFAOYSA-N
MW162.24 g/mol
LogP3.01
Rot. Bonds

About tert-butylbenzene;molecular nitrogen

tert-butylbenzene;molecular nitrogen (PubChem CID 146464751) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is tert-butylbenzene;molecular nitrogen.

Molecular Properties

Compound Nametert-butylbenzene;molecular nitrogen
PubChem CID146464751
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Nametert-butylbenzene;molecular nitrogen
SMILESCC(C)(C)c1ccccc1.N#N
InChIInChI=1S/C10H14.N2/c1-10(2,3)9-7-5-4-6-8-9;1-2/h4-8H,1-3H3;
InChIKeyGQNVUVVEHAMVCH-UHFFFAOYSA-N
XLogP3.01
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 171375456
CID 171375456
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;methanimine
CID 174908280
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
tris(tert-butylbenzene);ethane;toluene
CID 158234120
1,1-difluoroethylbenzene
CID 10942535
tert-butylbenzene;hexane
CID 175254424
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;molecular nitrogen?
The IUPAC name of tert-butylbenzene;molecular nitrogen (CID 146464751) is tert-butylbenzene;molecular nitrogen.
What is the SMILES notation for tert-butylbenzene;molecular nitrogen?
The canonical SMILES for tert-butylbenzene;molecular nitrogen is CC(C)(C)c1ccccc1.N#N.
What is the InChIKey of tert-butylbenzene;molecular nitrogen?
The InChIKey is GQNVUVVEHAMVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.N2/c1-10(2,3)9-7-5-4-6-8-9;1-2/h4-8H,1-3H3;.
What are the key properties of tert-butylbenzene;molecular nitrogen?
tert-butylbenzene;molecular nitrogen has a molecular weight of 162.24 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;molecular nitrogen is sourced from PubChem (CID 146464751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).