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

C12H16N2 — CID 728636

IUPAC(2R)-1-(1H-indol-3-yl)butan-2-amine
SMILESCC[C@@H](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/t10-/m1/s1
InChIKeyZXUMUPVQYAFTLF-SNVBAGLBSA-N
MW188.27 g/mol
LogP2.45
Rot. Bonds3

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

(2R)-1-(1H-indol-3-yl)butan-2-amine (PubChem CID 728636) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R)-1-(1H-indol-3-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-1-(1H-indol-3-yl)butan-2-amine
PubChem CID728636
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(2R)-1-(1H-indol-3-yl)butan-2-amine
SMILESCC[C@@H](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/t10-/m1/s1
InChIKeyZXUMUPVQYAFTLF-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-3-yl)butan-2-amine?
The IUPAC name of (2R)-1-(1H-indol-3-yl)butan-2-amine (CID 728636) is (2R)-1-(1H-indol-3-yl)butan-2-amine.
What is the SMILES notation for (2R)-1-(1H-indol-3-yl)butan-2-amine?
The canonical SMILES for (2R)-1-(1H-indol-3-yl)butan-2-amine is CC[C@@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-1-(1H-indol-3-yl)butan-2-amine?
The InChIKey is ZXUMUPVQYAFTLF-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (2R)-1-(1H-indol-3-yl)butan-2-amine?
(2R)-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 (2R)-1-(1H-indol-3-yl)butan-2-amine is sourced from PubChem (CID 728636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).