3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine

C17H26N2O2 — CID 83948447

IUPAC3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
SMILESCCOc1cc2c(CC)cn(CCCN)c2cc1OCC
InChIInChI=1S/C17H26N2O2/c1-4-13-12-19(9-7-8-18)15-11-17(21-6-3)16(20-5-2)10-14(13)15/h10-12H,4-9,18H2,1-3H3
InChIKeyIHMHNCPSCUPPQU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.35
Rot. Bonds8

About 3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine

3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine (PubChem CID 83948447) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
PubChem CID83948447
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine
SMILESCCOc1cc2c(CC)cn(CCCN)c2cc1OCC
InChIInChI=1S/C17H26N2O2/c1-4-13-12-19(9-7-8-18)15-11-17(21-6-3)16(20-5-2)10-14(13)15/h10-12H,4-9,18H2,1-3H3
InChIKeyIHMHNCPSCUPPQU-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butyl-5,6-diethoxyindol-3-yl)ethanamine
CID 83948446
3-(6-chloro-3-ethyl-5-methoxyindol-1-yl)propan-1-amine
CID 83948348
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
2-[3-(3-aminopropyl)-5,6-diethoxyindol-1-yl]acetic acid
CID 83944715
2-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]acetic acid
CID 83944609
3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
CID 83944729
3-(3,5-diethylindol-1-yl)propan-1-amine
CID 83948751
3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
CID 83948422
3-(5,6-diethoxyindol-1-yl)propan-1-amine
CID 83948448
3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine
CID 83948594
2-[3-(3-aminopropyl)-5,6-dimethoxyindol-1-yl]ethanol
CID 83944570

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine (CID 83948447) is 3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine is CCOc1cc2c(CC)cn(CCCN)c2cc1OCC.
What is the InChIKey of 3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine?
The InChIKey is IHMHNCPSCUPPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-13-12-19(9-7-8-18)15-11-17(21-6-3)16(20-5-2)10-14(13)15/h10-12H,4-9,18H2,1-3H3.
What are the key properties of 3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine?
3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-diethoxy-3-ethylindol-1-yl)propan-1-amine is sourced from PubChem (CID 83948447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).