1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine

C15H22N2 — CID 117196204

IUPAC1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine
SMILESCCn1cc(CC(C)NC)c2ccc(C)cc21
InChIInChI=1S/C15H22N2/c1-5-17-10-13(9-12(3)16-4)14-7-6-11(2)8-15(14)17/h6-8,10,12,16H,5,9H2,1-4H3
InChIKeyUSJOWLNGZSXEMZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.12
Rot. Bonds4

About 1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine

1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine (PubChem CID 117196204) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine
PubChem CID117196204
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine
SMILESCCn1cc(CC(C)NC)c2ccc(C)cc21
InChIInChI=1S/C15H22N2/c1-5-17-10-13(9-12(3)16-4)14-7-6-11(2)8-15(14)17/h6-8,10,12,16H,5,9H2,1-4H3
InChIKeyUSJOWLNGZSXEMZ-UHFFFAOYSA-N
XLogP3.12
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine (CID 117196204) is 1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine is CCn1cc(CC(C)NC)c2ccc(C)cc21.
What is the InChIKey of 1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine?
The InChIKey is USJOWLNGZSXEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-17-10-13(9-12(3)16-4)14-7-6-11(2)8-15(14)17/h6-8,10,12,16H,5,9H2,1-4H3.
What are the key properties of 1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine?
1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117196204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).