2-(1-prop-2-enylindol-3-yl)ethanamine

C13H16N2 — CID 10375539

IUPAC2-(1-prop-2-enylindol-3-yl)ethanamine
SMILESC=CCn1cc(CCN)c2ccccc21
InChIInChI=1S/C13H16N2/c1-2-9-15-10-11(7-8-14)12-5-3-4-6-13(12)15/h2-6,10H,1,7-9,14H2
InChIKeyIWRCYBKTEUZRAJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.33
Rot. Bonds4

About 2-(1-prop-2-enylindol-3-yl)ethanamine

2-(1-prop-2-enylindol-3-yl)ethanamine (PubChem CID 10375539) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(1-prop-2-enylindol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-prop-2-enylindol-3-yl)ethanamine
PubChem CID10375539
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-(1-prop-2-enylindol-3-yl)ethanamine
SMILESC=CCn1cc(CCN)c2ccccc21
InChIInChI=1S/C13H16N2/c1-2-9-15-10-11(7-8-14)12-5-3-4-6-13(12)15/h2-6,10H,1,7-9,14H2
InChIKeyIWRCYBKTEUZRAJ-UHFFFAOYSA-N
XLogP2.33
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
2-[1-(2-ethylbutyl)indol-3-yl]ethanamine
CID 82925282
2-(1-chloroindol-3-yl)ethanamine
CID 22722065
3-[1-(2-methylprop-2-enyl)indol-3-yl]propan-1-amine
CID 79185478
2-[1-(3-methylsulfanylpropyl)indol-3-yl]ethanamine
CID 113474367
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine
CID 112591716
1-benzyl-3-but-3-enylindole
CID 174396068
1-prop-2-enyl-3-[1-(1-prop-2-enylindol-3-yl)ethyl]indole
CID 135029119
2-[1-[(4-chloro-2-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 114859178
2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
CID 63156515

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enylindol-3-yl)ethanamine?
The IUPAC name of 2-(1-prop-2-enylindol-3-yl)ethanamine (CID 10375539) is 2-(1-prop-2-enylindol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-prop-2-enylindol-3-yl)ethanamine?
The canonical SMILES for 2-(1-prop-2-enylindol-3-yl)ethanamine is C=CCn1cc(CCN)c2ccccc21.
What is the InChIKey of 2-(1-prop-2-enylindol-3-yl)ethanamine?
The InChIKey is IWRCYBKTEUZRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-9-15-10-11(7-8-14)12-5-3-4-6-13(12)15/h2-6,10H,1,7-9,14H2.
What are the key properties of 2-(1-prop-2-enylindol-3-yl)ethanamine?
2-(1-prop-2-enylindol-3-yl)ethanamine has a molecular weight of 200.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enylindol-3-yl)ethanamine is sourced from PubChem (CID 10375539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).