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

C17H37ClN2O — CID 3066331

IUPAC2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride
SMILESCCCC(C(=O)NC(C)(C)CC(C)(C)C)N(CC)CC.Cl
InChIInChI=1S/C17H36N2O.ClH/c1-9-12-14(19(10-2)11-3)15(20)18-17(7,8)13-16(4,5)6;/h14H,9-13H2,1-8H3,(H,18,20);1H
InChIKeyFGORCAWFDSJSNF-UHFFFAOYSA-N
MW320.95 g/mol
LogP4.25
Rot. Bonds8

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

2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride (PubChem CID 3066331) has the molecular formula C17H37ClN2O and a molecular weight of 320.95 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride
PubChem CID3066331
Molecular FormulaC17H37ClN2O
Molecular Weight320.95 g/mol
Exact Mass320.26
IUPAC Name2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride
SMILESCCCC(C(=O)NC(C)(C)CC(C)(C)C)N(CC)CC.Cl
InChIInChI=1S/C17H36N2O.ClH/c1-9-12-14(19(10-2)11-3)15(20)18-17(7,8)13-16(4,5)6;/h14H,9-13H2,1-8H3,(H,18,20);1H
InChIKeyFGORCAWFDSJSNF-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.95
LogP ≤ 54.25
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)pentanamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride (CID 3066331) is 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride is CCCC(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)pentanamide;hydrochloride?
The InChIKey is FGORCAWFDSJSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O.ClH/c1-9-12-14(19(10-2)11-3)15(20)18-17(7,8)13-16(4,5)6;/h14H,9-13H2,1-8H3,(H,18,20);1H.
What are the key properties of 2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride?
2-(diethylamino)-N-(2,4,4-trimethylpentan-2-yl)pentanamide;hydrochloride has a molecular weight of 320.95 g/mol, XLogP of 4.25, 8 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)pentanamide;hydrochloride is sourced from PubChem (CID 3066331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).