N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline

C16H28N2 — CID 114055099

IUPACN-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccc(C)cc1CNC
InChIInChI=1S/C16H28N2/c1-6-13(3)12-18(7-2)16-9-8-14(4)10-15(16)11-17-5/h8-10,13,17H,6-7,11-12H2,1-5H3
InChIKeyAIMSHUBMFJUEGG-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.59
Rot. Bonds7

About N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline

N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline (PubChem CID 114055099) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline
PubChem CID114055099
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(CC)c1ccc(C)cc1CNC
InChIInChI=1S/C16H28N2/c1-6-13(3)12-18(7-2)16-9-8-14(4)10-15(16)11-17-5/h8-10,13,17H,6-7,11-12H2,1-5H3
InChIKeyAIMSHUBMFJUEGG-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline?
The IUPAC name of N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline (CID 114055099) is N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline.
What is the SMILES notation for N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline?
The canonical SMILES for N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline is CCC(C)CN(CC)c1ccc(C)cc1CNC.
What is the InChIKey of N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline?
The InChIKey is AIMSHUBMFJUEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-13(3)12-18(7-2)16-9-8-14(4)10-15(16)11-17-5/h8-10,13,17H,6-7,11-12H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline?
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline has a molecular weight of 248.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline is sourced from PubChem (CID 114055099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).