2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide

C11H24N4O — CID 63634903

IUPAC2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
SMILESCNC(CN1CCN(C)C(C)(C)C1)C(N)=O
InChIInChI=1S/C11H24N4O/c1-11(2)8-15(6-5-14(11)4)7-9(13-3)10(12)16/h9,13H,5-8H2,1-4H3,(H2,12,16)
InChIKeyCAEQJMXLRIQUMT-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.91
Rot. Bonds4

About 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide

2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide (PubChem CID 63634903) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
PubChem CID63634903
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
SMILESCNC(CN1CCN(C)C(C)(C)C1)C(N)=O
InChIInChI=1S/C11H24N4O/c1-11(2)8-15(6-5-14(11)4)7-9(13-3)10(12)16/h9,13H,5-8H2,1-4H3,(H2,12,16)
InChIKeyCAEQJMXLRIQUMT-UHFFFAOYSA-N
XLogP-0.91
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63634901
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608754
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
CID 63621588
1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608756
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(methylamino)propanamide
CID 63151183
ethyl 3-oxo-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 63897382
2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
CID 106114835
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66370776
3-(3-methoxypyrrolidin-1-yl)-2-(methylamino)propanamide
CID 103538030
ethyl 2-amino-4-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 55215441
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
The IUPAC name of 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide (CID 63634903) is 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide is CNC(CN1CCN(C)C(C)(C)C1)C(N)=O.
What is the InChIKey of 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
The InChIKey is CAEQJMXLRIQUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-11(2)8-15(6-5-14(11)4)7-9(13-3)10(12)16/h9,13H,5-8H2,1-4H3,(H2,12,16).
What are the key properties of 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide has a molecular weight of 228.34 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 63634903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).