3-(1H-indol-6-yl)butan-1-amine

C12H16N2 — CID 82602760

IUPAC3-(1H-indol-6-yl)butan-1-amine
SMILESCC(CCN)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H16N2/c1-9(4-6-13)11-3-2-10-5-7-14-12(10)8-11/h2-3,5,7-9,14H,4,6,13H2,1H3
InChIKeyWLIOWIZNYCULGS-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.62
Rot. Bonds3

About 3-(1H-indol-6-yl)butan-1-amine

3-(1H-indol-6-yl)butan-1-amine (PubChem CID 82602760) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)butan-1-amine.

Molecular Properties

Compound Name3-(1H-indol-6-yl)butan-1-amine
PubChem CID82602760
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-(1H-indol-6-yl)butan-1-amine
SMILESCC(CCN)c1ccc2cc[nH]c2c1
InChIInChI=1S/C12H16N2/c1-9(4-6-13)11-3-2-10-5-7-14-12(10)8-11/h2-3,5,7-9,14H,4,6,13H2,1H3
InChIKeyWLIOWIZNYCULGS-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)butan-1-amine?
The IUPAC name of 3-(1H-indol-6-yl)butan-1-amine (CID 82602760) is 3-(1H-indol-6-yl)butan-1-amine.
What is the SMILES notation for 3-(1H-indol-6-yl)butan-1-amine?
The canonical SMILES for 3-(1H-indol-6-yl)butan-1-amine is CC(CCN)c1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(1H-indol-6-yl)butan-1-amine?
The InChIKey is WLIOWIZNYCULGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(4-6-13)11-3-2-10-5-7-14-12(10)8-11/h2-3,5,7-9,14H,4,6,13H2,1H3.
What are the key properties of 3-(1H-indol-6-yl)butan-1-amine?
3-(1H-indol-6-yl)butan-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)butan-1-amine is sourced from PubChem (CID 82602760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).