2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride

C16H35ClN2O — CID 3066084

IUPAC2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride
SMILESCCC(C(=O)NC(C)(C)CC(C)(C)C)N(CC)CC.Cl
InChIInChI=1S/C16H34N2O.ClH/c1-9-13(18(10-2)11-3)14(19)17-16(7,8)12-15(4,5)6;/h13H,9-12H2,1-8H3,(H,17,19);1H
InChIKeyUECZYPYRMGJCSA-UHFFFAOYSA-N
MW306.92 g/mol
LogP3.86
Rot. Bonds7

About 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride

2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride (PubChem CID 3066084) has the molecular formula C16H35ClN2O and a molecular weight of 306.92 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride
PubChem CID3066084
Molecular FormulaC16H35ClN2O
Molecular Weight306.92 g/mol
Exact Mass306.24
IUPAC Name2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride
SMILESCCC(C(=O)NC(C)(C)CC(C)(C)C)N(CC)CC.Cl
InChIInChI=1S/C16H34N2O.ClH/c1-9-13(18(10-2)11-3)14(19)17-16(7,8)12-15(4,5)6;/h13H,9-12H2,1-8H3,(H,17,19);1H
InChIKeyUECZYPYRMGJCSA-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.92
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride (CID 3066084) is 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride is CCC(C(=O)NC(C)(C)CC(C)(C)C)N(CC)CC.Cl.
What is the InChIKey of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride?
The InChIKey is UECZYPYRMGJCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O.ClH/c1-9-13(18(10-2)11-3)14(19)17-16(7,8)12-15(4,5)6;/h13H,9-12H2,1-8H3,(H,17,19);1H.
What are the key properties of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride?
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride has a molecular weight of 306.92 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)butanamide;hydrochloride is sourced from PubChem (CID 3066084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).