2-[(E)-5-methylhex-3-en-2-yl]aniline

C13H19N — CID 14614112

IUPAC2-[(E)-5-methylhex-3-en-2-yl]aniline
SMILESCC(C)/C=C/C(C)c1ccccc1N
InChIInChI=1S/C13H19N/c1-10(2)8-9-11(3)12-6-4-5-7-13(12)14/h4-11H,14H2,1-3H3/b9-8+
InChIKeyWDWUBCHFMKNXLI-CMDGGOBGSA-N
MW189.30 g/mol
LogP3.58
Rot. Bonds3

About 2-[(E)-5-methylhex-3-en-2-yl]aniline

2-[(E)-5-methylhex-3-en-2-yl]aniline (PubChem CID 14614112) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[(E)-5-methylhex-3-en-2-yl]aniline.

Molecular Properties

Compound Name2-[(E)-5-methylhex-3-en-2-yl]aniline
PubChem CID14614112
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-[(E)-5-methylhex-3-en-2-yl]aniline
SMILESCC(C)/C=C/C(C)c1ccccc1N
InChIInChI=1S/C13H19N/c1-10(2)8-9-11(3)12-6-4-5-7-13(12)14/h4-11H,14H2,1-3H3/b9-8+
InChIKeyWDWUBCHFMKNXLI-CMDGGOBGSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
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2-(1-trimethylsilylethyl)aniline
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(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
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2-(2-aminophenyl)propanenitrile
CID 20509311
2-(1-aminopropan-2-yl)aniline;dihydrochloride
CID 131857142
2-(1-fluoroprop-2-enyl)aniline
CID 68602781
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CID 67830169
3-(2-aminophenyl)-2,2-difluorobutanal
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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-methylhex-3-en-2-yl]aniline?
The IUPAC name of 2-[(E)-5-methylhex-3-en-2-yl]aniline (CID 14614112) is 2-[(E)-5-methylhex-3-en-2-yl]aniline.
What is the SMILES notation for 2-[(E)-5-methylhex-3-en-2-yl]aniline?
The canonical SMILES for 2-[(E)-5-methylhex-3-en-2-yl]aniline is CC(C)/C=C/C(C)c1ccccc1N.
What is the InChIKey of 2-[(E)-5-methylhex-3-en-2-yl]aniline?
The InChIKey is WDWUBCHFMKNXLI-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)8-9-11(3)12-6-4-5-7-13(12)14/h4-11H,14H2,1-3H3/b9-8+.
What are the key properties of 2-[(E)-5-methylhex-3-en-2-yl]aniline?
2-[(E)-5-methylhex-3-en-2-yl]aniline has a molecular weight of 189.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-methylhex-3-en-2-yl]aniline is sourced from PubChem (CID 14614112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).