3-butyl-3H-indol-2-amine;hydrochloride

C12H17ClN2 — CID 118711981

IUPAC3-butyl-3H-indol-2-amine;hydrochloride
SMILESCCCCC1C(N)=Nc2ccccc21.Cl
InChIInChI=1S/C12H16N2.ClH/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13;/h4-5,7-8,10H,2-3,6H2,1H3,(H2,13,14);1H
InChIKeyYWHVYBSQYVGNME-UHFFFAOYSA-N
MW224.74 g/mol
LogP3.38
Rot. Bonds3

About 3-butyl-3H-indol-2-amine;hydrochloride

3-butyl-3H-indol-2-amine;hydrochloride (PubChem CID 118711981) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 3-butyl-3H-indol-2-amine;hydrochloride.

Molecular Properties

Compound Name3-butyl-3H-indol-2-amine;hydrochloride
PubChem CID118711981
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name3-butyl-3H-indol-2-amine;hydrochloride
SMILESCCCCC1C(N)=Nc2ccccc21.Cl
InChIInChI=1S/C12H16N2.ClH/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13;/h4-5,7-8,10H,2-3,6H2,1H3,(H2,13,14);1H
InChIKeyYWHVYBSQYVGNME-UHFFFAOYSA-N
XLogP3.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3H-indol-2-amine;hydrochloride?
The IUPAC name of 3-butyl-3H-indol-2-amine;hydrochloride (CID 118711981) is 3-butyl-3H-indol-2-amine;hydrochloride.
What is the SMILES notation for 3-butyl-3H-indol-2-amine;hydrochloride?
The canonical SMILES for 3-butyl-3H-indol-2-amine;hydrochloride is CCCCC1C(N)=Nc2ccccc21.Cl.
What is the InChIKey of 3-butyl-3H-indol-2-amine;hydrochloride?
The InChIKey is YWHVYBSQYVGNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.ClH/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13;/h4-5,7-8,10H,2-3,6H2,1H3,(H2,13,14);1H.
What are the key properties of 3-butyl-3H-indol-2-amine;hydrochloride?
3-butyl-3H-indol-2-amine;hydrochloride has a molecular weight of 224.74 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3H-indol-2-amine;hydrochloride is sourced from PubChem (CID 118711981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).