2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine

C13H16N2O2 — CID 13140993

IUPAC2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C13H16N2O2/c1-15(2)4-3-9-7-14-11-6-13-12(5-10(9)11)16-8-17-13/h5-7,14H,3-4,8H2,1-2H3
InChIKeyQHEIGHVZMWJQHB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.00
Rot. Bonds3

About 2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine

2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine (PubChem CID 13140993) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine
PubChem CID13140993
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C13H16N2O2/c1-15(2)4-3-9-7-14-11-6-13-12(5-10(9)11)16-8-17-13/h5-7,14H,3-4,8H2,1-2H3
InChIKeyQHEIGHVZMWJQHB-UHFFFAOYSA-N
XLogP2.00
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine (CID 13140993) is 2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine?
The InChIKey is QHEIGHVZMWJQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15(2)4-3-9-7-14-11-6-13-12(5-10(9)11)16-8-17-13/h5-7,14H,3-4,8H2,1-2H3.
What are the key properties of 2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine?
2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine has a molecular weight of 232.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 13140993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).