N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline

C16H26N2O — CID 62425314

IUPACN-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCN(CC1CCC(CNC)O1)c1ccccc1C
InChIInChI=1S/C16H26N2O/c1-4-18(16-8-6-5-7-13(16)2)12-15-10-9-14(19-15)11-17-3/h5-8,14-15,17H,4,9-12H2,1-3H3
InChIKeyMIJLCQNVTDVGQQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.59
Rot. Bonds6

About N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline

N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline (PubChem CID 62425314) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
PubChem CID62425314
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCN(CC1CCC(CNC)O1)c1ccccc1C
InChIInChI=1S/C16H26N2O/c1-4-18(16-8-6-5-7-13(16)2)12-15-10-9-14(19-15)11-17-3/h5-8,14-15,17H,4,9-12H2,1-3H3
InChIKeyMIJLCQNVTDVGQQ-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The IUPAC name of N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline (CID 62425314) is N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The canonical SMILES for N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline is CCN(CC1CCC(CNC)O1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The InChIKey is MIJLCQNVTDVGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(16-8-6-5-7-13(16)2)12-15-10-9-14(19-15)11-17-3/h5-8,14-15,17H,4,9-12H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline is sourced from PubChem (CID 62425314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).