N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride

C10H25Cl2N3O — CID 119495228

IUPACN-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride
SMILESCCN(CC)CC(=O)NCCC(C)N.Cl.Cl
InChIInChI=1S/C10H23N3O.2ClH/c1-4-13(5-2)8-10(14)12-7-6-9(3)11;;/h9H,4-8,11H2,1-3H3,(H,12,14);2*1H
InChIKeyKPEUDJJDKODHRY-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.03
Rot. Bonds7

About N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride

N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride (PubChem CID 119495228) has the molecular formula C10H25Cl2N3O and a molecular weight of 274.24 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride
PubChem CID119495228
Molecular FormulaC10H25Cl2N3O
Molecular Weight274.24 g/mol
Exact Mass273.14
IUPAC NameN-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride
SMILESCCN(CC)CC(=O)NCCC(C)N.Cl.Cl
InChIInChI=1S/C10H23N3O.2ClH/c1-4-13(5-2)8-10(14)12-7-6-9(3)11;;/h9H,4-8,11H2,1-3H3,(H,12,14);2*1H
InChIKeyKPEUDJJDKODHRY-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-N-[3-[[2-(diethylamino)acetyl]amino]propyl]acetamide;dihydrochloride
CID 24832330
N-(3-aminobutyl)-N',N'-diethylpentanediamide
CID 119495804
2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950
N-butyl-2-(diethylamino)acetamide
CID 54813643
N-(3-aminobutyl)-3-ethylpentanamide
CID 119496661
2-(diethylamino)-N-[3-(methylamino)propyl]acetamide
CID 119429887
(4R)-4-amino-N-propylpentanamide
CID 146234117
ethyl 2-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 55207794
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
3-[ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-methylpropanoic acid
CID 62852615
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503
2-(diethylamino)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652043

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride (CID 119495228) is N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride is CCN(CC)CC(=O)NCCC(C)N.Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride?
The InChIKey is KPEUDJJDKODHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O.2ClH/c1-4-13(5-2)8-10(14)12-7-6-9(3)11;;/h9H,4-8,11H2,1-3H3,(H,12,14);2*1H.
What are the key properties of N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride?
N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride has a molecular weight of 274.24 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(diethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119495228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).