2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride

C13H29ClN2O — CID 53423327

IUPAC2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride
SMILESCCC(C(=O)NC(C)(C)CC)N(CC)CC.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-7-11(15(9-3)10-4)12(16)14-13(5,6)8-2;/h11H,7-10H2,1-6H3,(H,14,16);1H
InChIKeyUOPPBKFOJDRKJF-UHFFFAOYSA-N
MW264.84 g/mol
LogP2.83
Rot. Bonds7

About 2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride

2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride (PubChem CID 53423327) has the molecular formula C13H29ClN2O and a molecular weight of 264.84 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride
PubChem CID53423327
Molecular FormulaC13H29ClN2O
Molecular Weight264.84 g/mol
Exact Mass264.20
IUPAC Name2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride
SMILESCCC(C(=O)NC(C)(C)CC)N(CC)CC.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-7-11(15(9-3)10-4)12(16)14-13(5,6)8-2;/h11H,7-10H2,1-6H3,(H,14,16);1H
InChIKeyUOPPBKFOJDRKJF-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride (CID 53423327) is 2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride is CCC(C(=O)NC(C)(C)CC)N(CC)CC.Cl.
What is the InChIKey of 2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride?
The InChIKey is UOPPBKFOJDRKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.ClH/c1-7-11(15(9-3)10-4)12(16)14-13(5,6)8-2;/h11H,7-10H2,1-6H3,(H,14,16);1H.
What are the key properties of 2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride?
2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2-methylbutan-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 53423327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).