ethane;5-methyl-2-prop-1-en-2-ylaniline

C12H19N — CID 142496238

IUPACethane;5-methyl-2-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(C)cc1N.CC
InChIInChI=1S/C10H13N.C2H6/c1-7(2)9-5-4-8(3)6-10(9)11;1-2/h4-6H,1,11H2,2-3H3;1-2H3
InChIKeyBNVAUBVNQARFAU-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.64
Rot. Bonds1

About ethane;5-methyl-2-prop-1-en-2-ylaniline

ethane;5-methyl-2-prop-1-en-2-ylaniline (PubChem CID 142496238) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is ethane;5-methyl-2-prop-1-en-2-ylaniline.

Molecular Properties

Compound Nameethane;5-methyl-2-prop-1-en-2-ylaniline
PubChem CID142496238
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Nameethane;5-methyl-2-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(C)cc1N.CC
InChIInChI=1S/C10H13N.C2H6/c1-7(2)9-5-4-8(3)6-10(9)11;1-2/h4-6H,1,11H2,2-3H3;1-2H3
InChIKeyBNVAUBVNQARFAU-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-prop-1-en-2-ylaniline
CID 124704429
2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine
CID 174410424
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
CID 167502985
1-bromo-4-methyl-2-prop-1-en-2-ylbenzene
CID 101458254
2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane
CID 177043564
2-amino-N-ethenyl-4-methylbenzamide
CID 143815920
(E)-2-amino-3-(2-amino-4-methylphenyl)-3-hydroxyprop-2-enoic acid;ethane;yttrium
CID 142087139
4-methyl-1-(2-methylpent-2-en-3-yl)-2-prop-1-en-2-ylbenzene
CID 145439569
(E)-2-amino-3-(2-amino-4-methylphenyl)-3-hydroxyprop-2-enoic acid
CID 142087140
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
2,4-dimethyl-1-(4-methyl-2-prop-1-en-2-ylphenyl)benzene
CID 142964913
2-chloro-3-methyl-4-prop-1-en-2-ylaniline
CID 142115554

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-prop-1-en-2-ylaniline?
The IUPAC name of ethane;5-methyl-2-prop-1-en-2-ylaniline (CID 142496238) is ethane;5-methyl-2-prop-1-en-2-ylaniline.
What is the SMILES notation for ethane;5-methyl-2-prop-1-en-2-ylaniline?
The canonical SMILES for ethane;5-methyl-2-prop-1-en-2-ylaniline is C=C(C)c1ccc(C)cc1N.CC.
What is the InChIKey of ethane;5-methyl-2-prop-1-en-2-ylaniline?
The InChIKey is BNVAUBVNQARFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C2H6/c1-7(2)9-5-4-8(3)6-10(9)11;1-2/h4-6H,1,11H2,2-3H3;1-2H3.
What are the key properties of ethane;5-methyl-2-prop-1-en-2-ylaniline?
ethane;5-methyl-2-prop-1-en-2-ylaniline has a molecular weight of 177.29 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-prop-1-en-2-ylaniline is sourced from PubChem (CID 142496238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).