3-(1-methylindol-5-yl)oxypropan-1-amine

C12H16N2O — CID 84672497

IUPAC3-(1-methylindol-5-yl)oxypropan-1-amine
SMILESCn1ccc2cc(OCCCN)ccc21
InChIInChI=1S/C12H16N2O/c1-14-7-5-10-9-11(3-4-12(10)14)15-8-2-6-13/h3-5,7,9H,2,6,8,13H2,1H3
InChIKeyKZENEUHJQYUFSI-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.91
Rot. Bonds4

About 3-(1-methylindol-5-yl)oxypropan-1-amine

3-(1-methylindol-5-yl)oxypropan-1-amine (PubChem CID 84672497) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(1-methylindol-5-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(1-methylindol-5-yl)oxypropan-1-amine
PubChem CID84672497
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(1-methylindol-5-yl)oxypropan-1-amine
SMILESCn1ccc2cc(OCCCN)ccc21
InChIInChI=1S/C12H16N2O/c1-14-7-5-10-9-11(3-4-12(10)14)15-8-2-6-13/h3-5,7,9H,2,6,8,13H2,1H3
InChIKeyKZENEUHJQYUFSI-UHFFFAOYSA-N
XLogP1.91
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-5-yl)oxypropan-1-amine?
The IUPAC name of 3-(1-methylindol-5-yl)oxypropan-1-amine (CID 84672497) is 3-(1-methylindol-5-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(1-methylindol-5-yl)oxypropan-1-amine?
The canonical SMILES for 3-(1-methylindol-5-yl)oxypropan-1-amine is Cn1ccc2cc(OCCCN)ccc21.
What is the InChIKey of 3-(1-methylindol-5-yl)oxypropan-1-amine?
The InChIKey is KZENEUHJQYUFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-7-5-10-9-11(3-4-12(10)14)15-8-2-6-13/h3-5,7,9H,2,6,8,13H2,1H3.
What are the key properties of 3-(1-methylindol-5-yl)oxypropan-1-amine?
3-(1-methylindol-5-yl)oxypropan-1-amine has a molecular weight of 204.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-5-yl)oxypropan-1-amine is sourced from PubChem (CID 84672497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).