2-hex-5-en-2-ylaniline

C12H17N — CID 101407888

IUPAC2-hex-5-en-2-ylaniline
SMILESC=CCCC(C)c1ccccc1N
InChIInChI=1S/C12H17N/c1-3-4-7-10(2)11-8-5-6-9-12(11)13/h3,5-6,8-10H,1,4,7,13H2,2H3
InChIKeyJJPJRLVSCMBREG-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.34
Rot. Bonds4

About 2-hex-5-en-2-ylaniline

2-hex-5-en-2-ylaniline (PubChem CID 101407888) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-hex-5-en-2-ylaniline.

Molecular Properties

Compound Name2-hex-5-en-2-ylaniline
PubChem CID101407888
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-hex-5-en-2-ylaniline
SMILESC=CCCC(C)c1ccccc1N
InChIInChI=1S/C12H17N/c1-3-4-7-10(2)11-8-5-6-9-12(11)13/h3,5-6,8-10H,1,4,7,13H2,2H3
InChIKeyJJPJRLVSCMBREG-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.34
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

2-(1-aminopropan-2-yl)aniline;dihydrochloride
CID 131857142
4-(2-aminophenyl)-N-methylpentanamide
CID 143020696
2-(1-methylsulfonylpropan-2-yl)aniline
CID 115028443
2-[1-(dimethylamino)but-3-enyl]aniline
CID 173049207
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
1-(2-ethylphenyl)pent-4-en-1-amine
CID 104987661
4-(2-aminophenyl)-2-methylpentan-2-ol
CID 155775432
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635
2-(4-ethyl-5-methylhex-5-en-2-yl)aniline
CID 154959850
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
acetic acid;(3R)-3-(2-aminophenyl)butanoic acid
CID 67106940

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-en-2-ylaniline?
The IUPAC name of 2-hex-5-en-2-ylaniline (CID 101407888) is 2-hex-5-en-2-ylaniline.
What is the SMILES notation for 2-hex-5-en-2-ylaniline?
The canonical SMILES for 2-hex-5-en-2-ylaniline is C=CCCC(C)c1ccccc1N.
What is the InChIKey of 2-hex-5-en-2-ylaniline?
The InChIKey is JJPJRLVSCMBREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-4-7-10(2)11-8-5-6-9-12(11)13/h3,5-6,8-10H,1,4,7,13H2,2H3.
What are the key properties of 2-hex-5-en-2-ylaniline?
2-hex-5-en-2-ylaniline has a molecular weight of 175.27 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-en-2-ylaniline is sourced from PubChem (CID 101407888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).