N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline

C17H28N2O — CID 63739930

IUPACN-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline
SMILESCCN(CC1(CNC)CCCOC1)c1ccccc1C
InChIInChI=1S/C17H28N2O/c1-4-19(16-9-6-5-8-15(16)2)13-17(12-18-3)10-7-11-20-14-17/h5-6,8-9,18H,4,7,10-14H2,1-3H3
InChIKeyHPLWLQFZTGGCGC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds6

About N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline

N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline (PubChem CID 63739930) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline
PubChem CID63739930
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline
SMILESCCN(CC1(CNC)CCCOC1)c1ccccc1C
InChIInChI=1S/C17H28N2O/c1-4-19(16-9-6-5-8-15(16)2)13-17(12-18-3)10-7-11-20-14-17/h5-6,8-9,18H,4,7,10-14H2,1-3H3
InChIKeyHPLWLQFZTGGCGC-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline?
The IUPAC name of N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline (CID 63739930) is N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline?
The canonical SMILES for N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline is CCN(CC1(CNC)CCCOC1)c1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline?
The InChIKey is HPLWLQFZTGGCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(16-9-6-5-8-15(16)2)13-17(12-18-3)10-7-11-20-14-17/h5-6,8-9,18H,4,7,10-14H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline?
N-ethyl-2-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline has a molecular weight of 276.42 g/mol, XLogP of 2.84, 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-[[3-(methylaminomethyl)oxan-3-yl]methyl]aniline is sourced from PubChem (CID 63739930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).