2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide

C13H29N3O — CID 54891979

IUPAC2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide
SMILESCCN(CC)CCNC(CC)(C(N)=O)C(C)C
InChIInChI=1S/C13H29N3O/c1-6-13(11(4)5,12(14)17)15-9-10-16(7-2)8-3/h11,15H,6-10H2,1-5H3,(H2,14,17)
InChIKeyGYPZJRLYLGXBDL-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds9

About 2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide

2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide (PubChem CID 54891979) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide
PubChem CID54891979
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide
SMILESCCN(CC)CCNC(CC)(C(N)=O)C(C)C
InChIInChI=1S/C13H29N3O/c1-6-13(11(4)5,12(14)17)15-9-10-16(7-2)8-3/h11,15H,6-10H2,1-5H3,(H2,14,17)
InChIKeyGYPZJRLYLGXBDL-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide (CID 54891979) is 2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide is CCN(CC)CCNC(CC)(C(N)=O)C(C)C.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide?
The InChIKey is GYPZJRLYLGXBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-13(11(4)5,12(14)17)15-9-10-16(7-2)8-3/h11,15H,6-10H2,1-5H3,(H2,14,17).
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide?
2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide is sourced from PubChem (CID 54891979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).