N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

C16H22N2O — CID 29228595

IUPACN-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCCn1cc(CNC[C@@H]2CCCO2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-2-18-12-13(15-7-3-4-8-16(15)18)10-17-11-14-6-5-9-19-14/h3-4,7-8,12,14,17H,2,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyABUQWPVFECLGNI-AWEZNQCLSA-N
MW258.37 g/mol
LogP2.93
Rot. Bonds5

About N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 29228595) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID29228595
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCCn1cc(CNC[C@@H]2CCCO2)c2ccccc21
InChIInChI=1S/C16H22N2O/c1-2-18-12-13(15-7-3-4-8-16(15)18)10-17-11-14-6-5-9-19-14/h3-4,7-8,12,14,17H,2,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyABUQWPVFECLGNI-AWEZNQCLSA-N
XLogP2.93
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 29228595) is N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is CCn1cc(CNC[C@@H]2CCCO2)c2ccccc21.
What is the InChIKey of N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is ABUQWPVFECLGNI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18-12-13(15-7-3-4-8-16(15)18)10-17-11-14-6-5-9-19-14/h3-4,7-8,12,14,17H,2,5-6,9-11H2,1H3/t14-/m0/s1.
What are the key properties of N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 29228595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).