3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride

C12H29Cl3N4O — CID 119901189

IUPAC3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride
SMILESCN1CCN(CCNC(=O)C(C)(C)CN)CC1.Cl.Cl.Cl
InChIInChI=1S/C12H26N4O.3ClH/c1-12(2,10-13)11(17)14-4-5-16-8-6-15(3)7-9-16;;;/h4-10,13H2,1-3H3,(H,14,17);3*1H
InChIKeyGDDCYLYQKNBMJW-UHFFFAOYSA-N
MW351.75 g/mol
LogP0.60
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride

3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride (PubChem CID 119901189) has the molecular formula C12H29Cl3N4O and a molecular weight of 351.75 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride
PubChem CID119901189
Molecular FormulaC12H29Cl3N4O
Molecular Weight351.75 g/mol
Exact Mass350.14
IUPAC Name3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride
SMILESCN1CCN(CCNC(=O)C(C)(C)CN)CC1.Cl.Cl.Cl
InChIInChI=1S/C12H26N4O.3ClH/c1-12(2,10-13)11(17)14-4-5-16-8-6-15(3)7-9-16;;;/h4-10,13H2,1-3H3,(H,14,17);3*1H
InChIKeyGDDCYLYQKNBMJW-UHFFFAOYSA-N
XLogP0.60
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539
N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 54861073
2,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 60707604
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2-bromo-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 114328411
N-[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl iodide
CID 138462768
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454
4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 144530451
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride?
The IUPAC name of 3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride (CID 119901189) is 3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride is CN1CCN(CCNC(=O)C(C)(C)CN)CC1.Cl.Cl.Cl.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride?
The InChIKey is GDDCYLYQKNBMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O.3ClH/c1-12(2,10-13)11(17)14-4-5-16-8-6-15(3)7-9-16;;;/h4-10,13H2,1-3H3,(H,14,17);3*1H.
What are the key properties of 3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride?
3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride has a molecular weight of 351.75 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide;trihydrochloride is sourced from PubChem (CID 119901189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).