2-(4-ethyl-5-methylhex-5-en-2-yl)aniline

C15H23N — CID 154959850

IUPAC2-(4-ethyl-5-methylhex-5-en-2-yl)aniline
SMILESC=C(C)C(CC)CC(C)c1ccccc1N
InChIInChI=1S/C15H23N/c1-5-13(11(2)3)10-12(4)14-8-6-7-9-15(14)16/h6-9,12-13H,2,5,10,16H2,1,3-4H3
InChIKeyQCQJPWRSLYGHQP-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.36
Rot. Bonds5

About 2-(4-ethyl-5-methylhex-5-en-2-yl)aniline

2-(4-ethyl-5-methylhex-5-en-2-yl)aniline (PubChem CID 154959850) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(4-ethyl-5-methylhex-5-en-2-yl)aniline.

Molecular Properties

Compound Name2-(4-ethyl-5-methylhex-5-en-2-yl)aniline
PubChem CID154959850
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(4-ethyl-5-methylhex-5-en-2-yl)aniline
SMILESC=C(C)C(CC)CC(C)c1ccccc1N
InChIInChI=1S/C15H23N/c1-5-13(11(2)3)10-12(4)14-8-6-7-9-15(14)16/h6-9,12-13H,2,5,10,16H2,1,3-4H3
InChIKeyQCQJPWRSLYGHQP-UHFFFAOYSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.36
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

1-(2-aminophenyl)-3-methylpentan-1-ol
CID 64832579
2-(1-aminopropan-2-yl)aniline;dihydrochloride
CID 131857142
acetic acid;(3R)-3-(2-aminophenyl)butanoic acid
CID 67106940
[(2S)-2-(2-aminophenyl)propoxy]-ethylphosphinous acid
CID 174098970
4-(2-aminophenyl)-2-methylpentan-2-ol
CID 155775432
2-hex-5-en-2-ylaniline
CID 101407888
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
2-butan-2-ylaniline;4-methylbenzoic acid
CID 142993926
2-amino-6-butan-2-ylphenol
CID 14993637
2-(1-methylsulfonylpropan-2-yl)aniline
CID 115028443
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
4-(2-aminophenyl)-N-methylpentanamide
CID 143020696

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-methylhex-5-en-2-yl)aniline?
The IUPAC name of 2-(4-ethyl-5-methylhex-5-en-2-yl)aniline (CID 154959850) is 2-(4-ethyl-5-methylhex-5-en-2-yl)aniline.
What is the SMILES notation for 2-(4-ethyl-5-methylhex-5-en-2-yl)aniline?
The canonical SMILES for 2-(4-ethyl-5-methylhex-5-en-2-yl)aniline is C=C(C)C(CC)CC(C)c1ccccc1N.
What is the InChIKey of 2-(4-ethyl-5-methylhex-5-en-2-yl)aniline?
The InChIKey is QCQJPWRSLYGHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-13(11(2)3)10-12(4)14-8-6-7-9-15(14)16/h6-9,12-13H,2,5,10,16H2,1,3-4H3.
What are the key properties of 2-(4-ethyl-5-methylhex-5-en-2-yl)aniline?
2-(4-ethyl-5-methylhex-5-en-2-yl)aniline has a molecular weight of 217.36 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-methylhex-5-en-2-yl)aniline is sourced from PubChem (CID 154959850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).