tert-butylbenzene;methanimine

C11H17N — CID 174908280

IUPACtert-butylbenzene;methanimine
SMILESCC(C)(C)c1ccccc1.[H]N=C
InChIInChI=1S/C10H14.CH3N/c1-10(2,3)9-7-5-4-6-8-9;1-2/h4-8H,1-3H3;2H,1H2
InChIKeyNFVNIZHSXIEQSB-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.25
Rot. Bonds

About tert-butylbenzene;methanimine

tert-butylbenzene;methanimine (PubChem CID 174908280) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is tert-butylbenzene;methanimine.

Molecular Properties

Compound Nametert-butylbenzene;methanimine
PubChem CID174908280
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nametert-butylbenzene;methanimine
SMILESCC(C)(C)c1ccccc1.[H]N=C
InChIInChI=1S/C10H14.CH3N/c1-10(2,3)9-7-5-4-6-8-9;1-2/h4-8H,1-3H3;2H,1H2
InChIKeyNFVNIZHSXIEQSB-UHFFFAOYSA-N
XLogP3.25
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tert-butylbenzene;methanimine 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

CID 171375456
CID 171375456
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
tris(tert-butylbenzene);ethane;toluene
CID 158234120
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
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;methanimine?
The IUPAC name of tert-butylbenzene;methanimine (CID 174908280) is tert-butylbenzene;methanimine.
What is the SMILES notation for tert-butylbenzene;methanimine?
The canonical SMILES for tert-butylbenzene;methanimine is CC(C)(C)c1ccccc1.[H]N=C.
What is the InChIKey of tert-butylbenzene;methanimine?
The InChIKey is NFVNIZHSXIEQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.CH3N/c1-10(2,3)9-7-5-4-6-8-9;1-2/h4-8H,1-3H3;2H,1H2.
What are the key properties of tert-butylbenzene;methanimine?
tert-butylbenzene;methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;methanimine is sourced from PubChem (CID 174908280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).