4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride

C13H29ClN2O2 — CID 120563952

IUPAC4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride
SMILESCCC(CC)(CCO)CNC(=O)CCC(C)N.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-4-13(5-2,8-9-16)10-15-12(17)7-6-11(3)14;/h11,16H,4-10,14H2,1-3H3,(H,15,17);1H
InChIKeyFOSHDJDBCKLAAF-UHFFFAOYSA-N
MW280.84 g/mol
LogP1.84
Rot. Bonds9

About 4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride

4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride (PubChem CID 120563952) has the molecular formula C13H29ClN2O2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride
PubChem CID120563952
Molecular FormulaC13H29ClN2O2
Molecular Weight280.84 g/mol
Exact Mass280.19
IUPAC Name4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride
SMILESCCC(CC)(CCO)CNC(=O)CCC(C)N.Cl
InChIInChI=1S/C13H28N2O2.ClH/c1-4-13(5-2,8-9-16)10-15-12(17)7-6-11(3)14;/h11,16H,4-10,14H2,1-3H3,(H,15,17);1H
InChIKeyFOSHDJDBCKLAAF-UHFFFAOYSA-N
XLogP1.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,2-diethyl-4-hydroxybutyl)acetamide
CID 119343174
4-amino-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65106683
(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
CID 119343168
4-amino-N-(2-ethyl-2-phenylbutyl)pentanamide;hydrochloride
CID 120563575
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
CID 103843928
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide
CID 106255599
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
(4R)-4-amino-N-propylpentanamide
CID 146234117
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
CID 106250717
N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
CID 113331570
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride (CID 120563952) is 4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride is CCC(CC)(CCO)CNC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride?
The InChIKey is FOSHDJDBCKLAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2.ClH/c1-4-13(5-2,8-9-16)10-15-12(17)7-6-11(3)14;/h11,16H,4-10,14H2,1-3H3,(H,15,17);1H.
What are the key properties of 4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride?
4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride has a molecular weight of 280.84 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride is sourced from PubChem (CID 120563952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).