N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride

C16H34ClN3O2 — CID 119598032

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride
SMILESCCN(CC)C(=O)CCCC(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C16H33N3O2.ClH/c1-6-19(7-2)15(21)10-8-9-14(20)18-16(5,12-17)11-13(3)4;/h13H,6-12,17H2,1-5H3,(H,18,20);1H
InChIKeyWVUCVCUZZFJZIK-UHFFFAOYSA-N
MW335.92 g/mol
LogP2.33
Rot. Bonds10

About N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride (PubChem CID 119598032) has the molecular formula C16H34ClN3O2 and a molecular weight of 335.92 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride
PubChem CID119598032
Molecular FormulaC16H34ClN3O2
Molecular Weight335.92 g/mol
Exact Mass335.23
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride
SMILESCCN(CC)C(=O)CCCC(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C16H33N3O2.ClH/c1-6-19(7-2)15(21)10-8-9-14(20)18-16(5,12-17)11-13(3)4;/h13H,6-12,17H2,1-5H3,(H,18,20);1H
InChIKeyWVUCVCUZZFJZIK-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)heptanamide
CID 115737471
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119600356
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(carbamoylamino)pentanamide
CID 119599057
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119600368
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
CID 119597381
N-(1-amino-2,4-dimethylpentan-2-yl)-2,3-dimethylbutanamide;hydrochloride
CID 119597747
N-(1-amino-2,4-dimethylpentan-2-yl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 119597434
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119598588
N-(1-amino-2,4-dimethylpentan-2-yl)-2-propylsulfonylacetamide
CID 119597794
2-[acetyl(methyl)amino]-N-(1-amino-2,4-dimethylpentan-2-yl)acetamide
CID 119599438
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119597382

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride (CID 119598032) is N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride is CCN(CC)C(=O)CCCC(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride?
The InChIKey is WVUCVCUZZFJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2.ClH/c1-6-19(7-2)15(21)10-8-9-14(20)18-16(5,12-17)11-13(3)4;/h13H,6-12,17H2,1-5H3,(H,18,20);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride has a molecular weight of 335.92 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-N',N'-diethylpentanediamide;hydrochloride is sourced from PubChem (CID 119598032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).