N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline

C15H26N2 — CID 43284716

IUPACN-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline
SMILESCCC(C)N(CC)c1ccccc1C(C)NC
InChIInChI=1S/C15H26N2/c1-6-12(3)17(7-2)15-11-9-8-10-14(15)13(4)16-5/h8-13,16H,6-7H2,1-5H3
InChIKeyYOAUMPUFXWOXKT-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.59
Rot. Bonds6

About N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline

N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline (PubChem CID 43284716) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline
PubChem CID43284716
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline
SMILESCCC(C)N(CC)c1ccccc1C(C)NC
InChIInChI=1S/C15H26N2/c1-6-12(3)17(7-2)15-11-9-8-10-14(15)13(4)16-5/h8-13,16H,6-7H2,1-5H3
InChIKeyYOAUMPUFXWOXKT-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
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-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline?
The IUPAC name of N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline (CID 43284716) is N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline?
The canonical SMILES for N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline is CCC(C)N(CC)c1ccccc1C(C)NC.
What is the InChIKey of N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline?
The InChIKey is YOAUMPUFXWOXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-12(3)17(7-2)15-11-9-8-10-14(15)13(4)16-5/h8-13,16H,6-7H2,1-5H3.
What are the key properties of N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline?
N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-2-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 43284716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).