2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine

C13H20N2O — CID 80715831

IUPAC2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1C1CCOC1)CCCC2N
InChIInChI=1S/C13H20N2O/c1-9-7-11-12(14)3-2-4-13(11)15(9)10-5-6-16-8-10/h7,10,12H,2-6,8,14H2,1H3
InChIKeyWHAOXBZLZPEWEV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.09
Rot. Bonds1

About 2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine

2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 80715831) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID80715831
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1C1CCOC1)CCCC2N
InChIInChI=1S/C13H20N2O/c1-9-7-11-12(14)3-2-4-13(11)15(9)10-5-6-16-8-10/h7,10,12H,2-6,8,14H2,1H3
InChIKeyWHAOXBZLZPEWEV-UHFFFAOYSA-N
XLogP2.09
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine (CID 80715831) is 2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1C1CCOC1)CCCC2N.
What is the InChIKey of 2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is WHAOXBZLZPEWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-7-11-12(14)3-2-4-13(11)15(9)10-5-6-16-8-10/h7,10,12H,2-6,8,14H2,1H3.
What are the key properties of 2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine?
2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 220.32 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-3-yl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 80715831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).