1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine

C13H16N2 — CID 130443458

IUPAC1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
SMILESC=C(C)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2/c1-9(2)12(14)7-10-8-15-13-6-4-3-5-11(10)13/h3-6,8,12,15H,1,7,14H2,2H3
InChIKeyXEUXXFIMKPAWJL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.61
Rot. Bonds3

About 1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine

1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine (PubChem CID 130443458) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
PubChem CID130443458
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
SMILESC=C(C)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2/c1-9(2)12(14)7-10-8-15-13-6-4-3-5-11(10)13/h3-6,8,12,15H,1,7,14H2,2H3
InChIKeyXEUXXFIMKPAWJL-UHFFFAOYSA-N
XLogP2.61
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide
CID 175865098
3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen
CID 145378179
(2R)-2-amino-3-(1H-indol-3-yl)-N-(2-methylprop-2-enyl)propanamide
CID 104940105
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
CID 19078905
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine?
The IUPAC name of 1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine (CID 130443458) is 1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine.
What is the SMILES notation for 1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine?
The canonical SMILES for 1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine is C=C(C)C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine?
The InChIKey is XEUXXFIMKPAWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9(2)12(14)7-10-8-15-13-6-4-3-5-11(10)13/h3-6,8,12,15H,1,7,14H2,2H3.
What are the key properties of 1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine?
1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine has a molecular weight of 200.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine is sourced from PubChem (CID 130443458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).