N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride

C12H29Cl2N3O — CID 119640041

IUPACN-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride
SMILESCCN(CC)CC(=O)NCC(N)(CC)CC.Cl.Cl
InChIInChI=1S/C12H27N3O.2ClH/c1-5-12(13,6-2)10-14-11(16)9-15(7-3)8-4;;/h5-10,13H2,1-4H3,(H,14,16);2*1H
InChIKeyWRFWSBUNTDMDSD-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.81
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride (PubChem CID 119640041) has the molecular formula C12H29Cl2N3O and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride
PubChem CID119640041
Molecular FormulaC12H29Cl2N3O
Molecular Weight302.29 g/mol
Exact Mass301.17
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride
SMILESCCN(CC)CC(=O)NCC(N)(CC)CC.Cl.Cl
InChIInChI=1S/C12H27N3O.2ClH/c1-5-12(13,6-2)10-14-11(16)9-15(7-3)8-4;;/h5-10,13H2,1-4H3,(H,14,16);2*1H
InChIKeyWRFWSBUNTDMDSD-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(methyl)amino]-N-(2-amino-2-ethylbutyl)acetamide
CID 119642570
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
N-(2-amino-2-ethylbutyl)-2-ethoxyacetamide;hydrochloride
CID 119642392
N'-(2-amino-2-ethylbutyl)-N-propylbutanediamide;hydrochloride
CID 119642895
N'-(2-amino-2-ethylbutyl)-N-ethylpentanediamide;hydrochloride
CID 119643328
2-(diethylamino)-N-[3-[[2-(diethylamino)acetyl]amino]propyl]acetamide;dihydrochloride
CID 24832330
2-(diethylamino)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111483937
N-(2-amino-2-ethylbutyl)-2-pentoxyacetamide;hydrochloride
CID 119639970
N-(2-amino-2-ethylbutyl)-2-butoxyacetamide
CID 119640904
N-(2-amino-2-ethylbutyl)-2-tert-butylsulfanylacetamide
CID 81484822
N-(2-amino-2-ethylbutyl)-2-propylsulfonylacetamide
CID 119640214
1-(2-amino-2-ethylbutyl)-3-ethylurea
CID 115305864

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride (CID 119640041) is N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride is CCN(CC)CC(=O)NCC(N)(CC)CC.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride?
The InChIKey is WRFWSBUNTDMDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O.2ClH/c1-5-12(13,6-2)10-14-11(16)9-15(7-3)8-4;;/h5-10,13H2,1-4H3,(H,14,16);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride has a molecular weight of 302.29 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(diethylamino)acetamide;dihydrochloride is sourced from PubChem (CID 119640041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).