(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine

C13H16N2 — CID 118478788

IUPAC(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine
SMILESC/C=C/NCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2/c1-2-8-14-9-7-11-10-15-13-6-4-3-5-12(11)13/h2-6,8,10,14-15H,7,9H2,1H3/b8-2+
InChIKeyCNYGXLYTHVMBDS-KRXBUXKQSA-N
MW200.28 g/mol
LogP2.83
Rot. Bonds4

About (E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine

(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine (PubChem CID 118478788) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine
PubChem CID118478788
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine
SMILESC/C=C/NCCc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2/c1-2-8-14-9-7-11-10-15-13-6-4-3-5-12(11)13/h2-6,8,10,14-15H,7,9H2,1H3/b8-2+
InChIKeyCNYGXLYTHVMBDS-KRXBUXKQSA-N
XLogP2.83
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-5-[2-(1H-indol-3-yl)ethylamino]-3-oxopent-4-enoate
CID 11243527
(1E,3E)-N-[2-(1H-indol-3-yl)ethyl]-4-nitrobuta-1,3-dien-1-amine
CID 10825034
(2E,4E)-N-[2-(1H-indol-3-yl)ethyl]hexa-2,4-dienamide
CID 47101909
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole
CID 102132135
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
CID 43202427
methyl 2-[hydroxy(oxido)amino]-3-[2-(1H-indol-3-yl)ethylamino]prop-2-enoate
CID 163118719
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
(Z)-but-2-enedioic acid;N-[2-(1H-indol-3-yl)ethyl]propan-2-amine
CID 5380391
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine?
The IUPAC name of (E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine (CID 118478788) is (E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine.
What is the SMILES notation for (E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine?
The canonical SMILES for (E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine is C/C=C/NCCc1c[nH]c2ccccc12.
What is the InChIKey of (E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine?
The InChIKey is CNYGXLYTHVMBDS-KRXBUXKQSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-8-14-9-7-11-10-15-13-6-4-3-5-12(11)13/h2-6,8,10,14-15H,7,9H2,1H3/b8-2+.
What are the key properties of (E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine?
(E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine has a molecular weight of 200.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1H-indol-3-yl)ethyl]prop-1-en-1-amine is sourced from PubChem (CID 118478788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).