2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine

C13H16N2O — CID 10353268

IUPAC2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine
SMILESNCCc1c[nH]c2ccc3c(c12)CCCO3
InChIInChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
InChIKeyCRBUBLCOTKWRPR-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.99
Rot. Bonds2

About 2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine

2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine (PubChem CID 10353268) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine
PubChem CID10353268
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine
SMILESNCCc1c[nH]c2ccc3c(c12)CCCO3
InChIInChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
InChIKeyCRBUBLCOTKWRPR-UHFFFAOYSA-N
XLogP1.99
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine?
The IUPAC name of 2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine (CID 10353268) is 2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine.
What is the SMILES notation for 2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine?
The canonical SMILES for 2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine is NCCc1c[nH]c2ccc3c(c12)CCCO3.
What is the InChIKey of 2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine?
The InChIKey is CRBUBLCOTKWRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2.
What are the key properties of 2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine?
2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine has a molecular weight of 216.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)ethanamine is sourced from PubChem (CID 10353268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).