2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane

C13H21N — CID 142207467

IUPAC2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane
SMILESC/C=C/Nc1c(C)cccc1C.CC
InChIInChI=1S/C11H15N.C2H6/c1-4-8-12-11-9(2)6-5-7-10(11)3;1-2/h4-8,12H,1-3H3;1-2H3/b8-4+;
InChIKeyGTFJNBNMSRZWKY-ZFXMFRGYSA-N
MW191.32 g/mol
LogP4.28
Rot. Bonds2

About 2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane

2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane (PubChem CID 142207467) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane.

Molecular Properties

Compound Name2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane
PubChem CID142207467
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane
SMILESC/C=C/Nc1c(C)cccc1C.CC
InChIInChI=1S/C11H15N.C2H6/c1-4-8-12-11-9(2)6-5-7-10(11)3;1-2/h4-8,12H,1-3H3;1-2H3/b8-4+;
InChIKeyGTFJNBNMSRZWKY-ZFXMFRGYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 102456770
CID 102456770
2,6-di(propan-2-yl)-N-[(Z)-prop-1-enyl]aniline
CID 130282228
ethane;1,2,3-trimethylbenzene
CID 54068667
ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene
CID 142146831
ethane;N-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602609
benzene;bis(N-prop-1-enylaniline)
CID 70363490
N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207
2-methyl-N-[(1E,3E)-penta-1,3-dienyl]aniline
CID 156821299
(E)-1-(2,4-dichlorophenyl)-3-(2,6-dimethylanilino)prop-2-en-1-one
CID 2244087
benzene;1,2,3-trimethylbenzene
CID 159605245
N-methoxy-2,6-dimethylaniline
CID 142628906
N-[3-methyl-2-(methylamino)phenyl]formamide
CID 142602610

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane?
The IUPAC name of 2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane (CID 142207467) is 2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane.
What is the SMILES notation for 2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane?
The canonical SMILES for 2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane is C/C=C/Nc1c(C)cccc1C.CC.
What is the InChIKey of 2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane?
The InChIKey is GTFJNBNMSRZWKY-ZFXMFRGYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-4-8-12-11-9(2)6-5-7-10(11)3;1-2/h4-8,12H,1-3H3;1-2H3/b8-4+;.
What are the key properties of 2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane?
2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane has a molecular weight of 191.32 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane is sourced from PubChem (CID 142207467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).