1-(1H-indol-3-yl)butan-2-amine

C12H16N2 — CID 8367

💊View drug profile → etryptamine
IUPAC1-(1H-indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3
InChIKeyZXUMUPVQYAFTLF-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.45
Rot. Bonds3

About 1-(1H-indol-3-yl)butan-2-amine

1-(1H-indol-3-yl)butan-2-amine (PubChem CID 8367) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)butan-2-amine
PubChem CID8367
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(1H-indol-3-yl)butan-2-amine
SMILESCCC(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3
InChIKeyZXUMUPVQYAFTLF-UHFFFAOYSA-N
XLogP2.45
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-3-(1H-indol-3-yl)propane-1-thiol
CID 141276823
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-(1H-indol-3-yl)-5-iodopentan-2-amine
CID 130234748
CID 90360713
CID 90360713
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
(2S)-1-(1H-indol-3-yl)-N-methylbutan-2-amine
CID 96657140
(2R)-1-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140726561
1-(6-fluoro-1H-indol-3-yl)butan-2-amine;hydrochloride
CID 86018044
(2S)-2-(1H-indol-3-ylmethyl)butanamide
CID 155450153
3-ethyl-1H-indole;methanamine
CID 142222050
1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
CID 130443458
(4R)-1-fluoro-5-(1H-indol-3-yl)-2,4-dimethylpentan-3-amine
CID 140660880

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)butan-2-amine?
The IUPAC name of 1-(1H-indol-3-yl)butan-2-amine (CID 8367) is 1-(1H-indol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(1H-indol-3-yl)butan-2-amine?
The canonical SMILES for 1-(1H-indol-3-yl)butan-2-amine is CCC(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)butan-2-amine?
The InChIKey is ZXUMUPVQYAFTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12/h3-6,8,10,14H,2,7,13H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)butan-2-amine?
1-(1H-indol-3-yl)butan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.45, 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)butan-2-amine is sourced from PubChem (CID 8367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).