3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine

C14H22N2 — CID 117203809

IUPAC3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine
SMILESCCN1CC(C)c2ccc(CCCN)cc21
InChIInChI=1S/C14H22N2/c1-3-16-10-11(2)13-7-6-12(5-4-8-15)9-14(13)16/h6-7,9,11H,3-5,8,10,15H2,1-2H3
InChIKeyZEIFJGWPSLFMMO-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.52
Rot. Bonds4

About 3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine

3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine (PubChem CID 117203809) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine
PubChem CID117203809
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine
SMILESCCN1CC(C)c2ccc(CCCN)cc21
InChIInChI=1S/C14H22N2/c1-3-16-10-11(2)13-7-6-12(5-4-8-15)9-14(13)16/h6-7,9,11H,3-5,8,10,15H2,1-2H3
InChIKeyZEIFJGWPSLFMMO-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine?
The IUPAC name of 3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine (CID 117203809) is 3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine.
What is the SMILES notation for 3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine?
The canonical SMILES for 3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine is CCN1CC(C)c2ccc(CCCN)cc21.
What is the InChIKey of 3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine?
The InChIKey is ZEIFJGWPSLFMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-16-10-11(2)13-7-6-12(5-4-8-15)9-14(13)16/h6-7,9,11H,3-5,8,10,15H2,1-2H3.
What are the key properties of 3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine?
3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methyl-2,3-dihydroindol-6-yl)propan-1-amine is sourced from PubChem (CID 117203809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).