tert-butylbenzene;N,N-dimethylmethanamine;ethane

C19H41N — CID 158234617

IUPACtert-butylbenzene;N,N-dimethylmethanamine;ethane
SMILESCC.CC.CC.CC(C)(C)c1ccccc1.CN(C)C
InChIInChI=1S/C10H14.C3H9N.3C2H6/c1-10(2,3)9-7-5-4-6-8-9;1-4(2)3;3*1-2/h4-8H,1-3H3;1-3H3;3*1-2H3
InChIKeyGEUREEACGHTXRS-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.24
Rot. Bonds

About tert-butylbenzene;N,N-dimethylmethanamine;ethane

tert-butylbenzene;N,N-dimethylmethanamine;ethane (PubChem CID 158234617) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is tert-butylbenzene;N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Nametert-butylbenzene;N,N-dimethylmethanamine;ethane
PubChem CID158234617
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC Nametert-butylbenzene;N,N-dimethylmethanamine;ethane
SMILESCC.CC.CC.CC(C)(C)c1ccccc1.CN(C)C
InChIInChI=1S/C10H14.C3H9N.3C2H6/c1-10(2,3)9-7-5-4-6-8-9;1-4(2)3;3*1-2/h4-8H,1-3H3;1-3H3;3*1-2H3
InChIKeyGEUREEACGHTXRS-UHFFFAOYSA-N
XLogP6.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
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CID 171375456
CID 171375456
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;molecular nitrogen
CID 146464751
tris(tert-butylbenzene);ethane;toluene
CID 158234120
tert-butylbenzene;methanimine
CID 174908280
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
1,1-difluoroethylbenzene
CID 10942535
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
tert-butylbenzene;hexane
CID 175254424
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;N,N-dimethylmethanamine;ethane?
The IUPAC name of tert-butylbenzene;N,N-dimethylmethanamine;ethane (CID 158234617) is tert-butylbenzene;N,N-dimethylmethanamine;ethane.
What is the SMILES notation for tert-butylbenzene;N,N-dimethylmethanamine;ethane?
The canonical SMILES for tert-butylbenzene;N,N-dimethylmethanamine;ethane is CC.CC.CC.CC(C)(C)c1ccccc1.CN(C)C.
What is the InChIKey of tert-butylbenzene;N,N-dimethylmethanamine;ethane?
The InChIKey is GEUREEACGHTXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C3H9N.3C2H6/c1-10(2,3)9-7-5-4-6-8-9;1-4(2)3;3*1-2/h4-8H,1-3H3;1-3H3;3*1-2H3.
What are the key properties of tert-butylbenzene;N,N-dimethylmethanamine;ethane?
tert-butylbenzene;N,N-dimethylmethanamine;ethane has a molecular weight of 283.54 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 158234617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).