N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine

C16H24N2O — CID 55069994

IUPACN-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCc3ccccc32)O1
InChIInChI=1S/C16H24N2O/c1-2-17-11-14-7-8-15(19-14)12-18-10-9-13-5-3-4-6-16(13)18/h3-6,14-15,17H,2,7-12H2,1H3
InChIKeyCEVIFLJBTAGVIE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.21
Rot. Bonds5

About N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine

N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine (PubChem CID 55069994) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
PubChem CID55069994
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(CN2CCc3ccccc32)O1
InChIInChI=1S/C16H24N2O/c1-2-17-11-14-7-8-15(19-14)12-18-10-9-13-5-3-4-6-16(13)18/h3-6,14-15,17H,2,7-12H2,1H3
InChIKeyCEVIFLJBTAGVIE-UHFFFAOYSA-N
XLogP2.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine (CID 55069994) is N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(CN2CCc3ccccc32)O1.
What is the InChIKey of N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
The InChIKey is CEVIFLJBTAGVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-17-11-14-7-8-15(19-14)12-18-10-9-13-5-3-4-6-16(13)18/h3-6,14-15,17H,2,7-12H2,1H3.
What are the key properties of N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine?
N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydroindol-1-ylmethyl)oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 55069994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).