N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride

C11H27Cl2N3O — CID 119627492

IUPACN-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
SMILESCC(C)C(C(=O)NCC(C)(C)N)N(C)C.Cl.Cl
InChIInChI=1S/C11H25N3O.2ClH/c1-8(2)9(14(5)6)10(15)13-7-11(3,4)12;;/h8-9H,7,12H2,1-6H3,(H,13,15);2*1H
InChIKeyABTAXKXUAOLFLI-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.27
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride

N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride (PubChem CID 119627492) has the molecular formula C11H27Cl2N3O and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
PubChem CID119627492
Molecular FormulaC11H27Cl2N3O
Molecular Weight288.26 g/mol
Exact Mass287.15
IUPAC NameN-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
SMILESCC(C)C(C(=O)NCC(C)(C)N)N(C)C.Cl.Cl
InChIInChI=1S/C11H25N3O.2ClH/c1-8(2)9(14(5)6)10(15)13-7-11(3,4)12;;/h8-9H,7,12H2,1-6H3,(H,13,15);2*1H
InChIKeyABTAXKXUAOLFLI-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide
CID 71855133
2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
CID 111334765
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
2-(dimethylamino)-N-[2-(ethylamino)ethyl]-3-methylbutanamide
CID 119506343
2-(dimethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 145134937
(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
CID 96539152
N-[(2S)-1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]-N-methylbenzamide
CID 54225328
2-(dimethylamino)-3-methyl-N-sulfanylbutanamide
CID 166115605
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
(2R)-2-(dimethylamino)-3-methylbutanamide;hydrochloride
CID 89440606
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119830610
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride (CID 119627492) is N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride is CC(C)C(C(=O)NCC(C)(C)N)N(C)C.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride?
The InChIKey is ABTAXKXUAOLFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O.2ClH/c1-8(2)9(14(5)6)10(15)13-7-11(3,4)12;;/h8-9H,7,12H2,1-6H3,(H,13,15);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride has a molecular weight of 288.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride is sourced from PubChem (CID 119627492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).