ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene

C15H27N — CID 142146831

IUPACethane;N-ethyl-2,6-dimethylaniline;prop-1-ene
SMILESC=CC.CC.CCNc1c(C)cccc1C
InChIInChI=1S/C10H15N.C3H6.C2H6/c1-4-11-10-8(2)6-5-7-9(10)3;1-3-2;1-2/h5-7,11H,4H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyDGWDORYWNDJEGX-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.95
Rot. Bonds2

About ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene

ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene (PubChem CID 142146831) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene.

Molecular Properties

Compound Nameethane;N-ethyl-2,6-dimethylaniline;prop-1-ene
PubChem CID142146831
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;N-ethyl-2,6-dimethylaniline;prop-1-ene
SMILESC=CC.CC.CCNc1c(C)cccc1C
InChIInChI=1S/C10H15N.C3H6.C2H6/c1-4-11-10-8(2)6-5-7-9(10)3;1-3-2;1-2/h5-7,11H,4H2,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyDGWDORYWNDJEGX-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(ethylamino)-3-methylphenyl]propanal
CID 143063352
N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207
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CID 22769655
N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
1-N-benzyl-2-N-ethyl-3-methylbenzene-1,2-diamine
CID 174482697
2,6-dimethyl-N-(2-methylidenebutyl)aniline
CID 66044989
2,6-dimethyl-N-[(E)-prop-1-enyl]aniline;ethane
CID 142207467
N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine
CID 54809643
N-ethyl-2,6-difluoroaniline
CID 23270171
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416
CID 175798397
CID 175798397
N-ethyl-2,3,8-trimethylquinolin-4-amine
CID 62196442

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene?
The IUPAC name of ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene (CID 142146831) is ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene.
What is the SMILES notation for ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene?
The canonical SMILES for ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene is C=CC.CC.CCNc1c(C)cccc1C.
What is the InChIKey of ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene?
The InChIKey is DGWDORYWNDJEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C3H6.C2H6/c1-4-11-10-8(2)6-5-7-9(10)3;1-3-2;1-2/h5-7,11H,4H2,1-3H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene?
ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene has a molecular weight of 221.39 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2,6-dimethylaniline;prop-1-ene is sourced from PubChem (CID 142146831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).