3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride

C8H21Cl2N3O — CID 86811726

IUPAC3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
SMILESCNC(=O)C(C)CN(C)CCN.Cl.Cl
InChIInChI=1S/C8H19N3O.2ClH/c1-7(8(12)10-2)6-11(3)5-4-9;;/h7H,4-6,9H2,1-3H3,(H,10,12);2*1H
InChIKeyAAOSGUINEFKTJC-UHFFFAOYSA-N
MW246.18 g/mol
LogP0.10
Rot. Bonds5

About 3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride

3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride (PubChem CID 86811726) has the molecular formula C8H21Cl2N3O and a molecular weight of 246.18 g/mol. Its IUPAC name is 3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
PubChem CID86811726
Molecular FormulaC8H21Cl2N3O
Molecular Weight246.18 g/mol
Exact Mass245.11
IUPAC Name3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
SMILESCNC(=O)C(C)CN(C)CCN.Cl.Cl
InChIInChI=1S/C8H19N3O.2ClH/c1-7(8(12)10-2)6-11(3)5-4-9;;/h7H,4-6,9H2,1-3H3,(H,10,12);2*1H
InChIKeyAAOSGUINEFKTJC-UHFFFAOYSA-N
XLogP0.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
3-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106914924
N,2-dimethyl-3-[methyl(2-oxobutyl)amino]propanamide
CID 106916646
3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916274
N,2-dimethyl-3-[methyl-(3-methyl-2-oxopentyl)amino]propanamide
CID 106916626
7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
CID 103812823
3-amino-N,2,2-trimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]propanamide
CID 103812840
methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate
CID 103722524
3-[[(Z)-2-aminoethenyl]-methylamino]-N,2-dimethylpropanamide
CID 143156667
3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
CID 106914891
3-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887363
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride?
The IUPAC name of 3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride (CID 86811726) is 3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride.
What is the SMILES notation for 3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride?
The canonical SMILES for 3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride is CNC(=O)C(C)CN(C)CCN.Cl.Cl.
What is the InChIKey of 3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride?
The InChIKey is AAOSGUINEFKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O.2ClH/c1-7(8(12)10-2)6-11(3)5-4-9;;/h7H,4-6,9H2,1-3H3,(H,10,12);2*1H.
What are the key properties of 3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride?
3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride has a molecular weight of 246.18 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride is sourced from PubChem (CID 86811726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).