1-(6H-indol-7-yl)butan-2-amine

C12H16N2 — CID 91003537

IUPAC1-(6H-indol-7-yl)butan-2-amine
SMILESCCC(N)CC1=C2N=CC=C2C=CC1
InChIInChI=1S/C12H16N2/c1-2-11(13)8-10-5-3-4-9-6-7-14-12(9)10/h3-4,6-7,11H,2,5,8,13H2,1H3
InChIKeyMYGSVUWTWKGRPH-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.34
Rot. Bonds3

About 1-(6H-indol-7-yl)butan-2-amine

1-(6H-indol-7-yl)butan-2-amine (PubChem CID 91003537) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(6H-indol-7-yl)butan-2-amine.

Molecular Properties

Compound Name1-(6H-indol-7-yl)butan-2-amine
PubChem CID91003537
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(6H-indol-7-yl)butan-2-amine
SMILESCCC(N)CC1=C2N=CC=C2C=CC1
InChIInChI=1S/C12H16N2/c1-2-11(13)8-10-5-3-4-9-6-7-14-12(9)10/h3-4,6-7,11H,2,5,8,13H2,1H3
InChIKeyMYGSVUWTWKGRPH-UHFFFAOYSA-N
XLogP2.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6H-indol-7-yl)butan-2-amine?
The IUPAC name of 1-(6H-indol-7-yl)butan-2-amine (CID 91003537) is 1-(6H-indol-7-yl)butan-2-amine.
What is the SMILES notation for 1-(6H-indol-7-yl)butan-2-amine?
The canonical SMILES for 1-(6H-indol-7-yl)butan-2-amine is CCC(N)CC1=C2N=CC=C2C=CC1.
What is the InChIKey of 1-(6H-indol-7-yl)butan-2-amine?
The InChIKey is MYGSVUWTWKGRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-11(13)8-10-5-3-4-9-6-7-14-12(9)10/h3-4,6-7,11H,2,5,8,13H2,1H3.
What are the key properties of 1-(6H-indol-7-yl)butan-2-amine?
1-(6H-indol-7-yl)butan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6H-indol-7-yl)butan-2-amine is sourced from PubChem (CID 91003537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).