2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide

C14H30N4O — CID 114539368

IUPAC2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
SMILESCCCNC(C)(CN1CC(C)N(C)C(C)C1)C(N)=O
InChIInChI=1S/C14H30N4O/c1-6-7-16-14(4,13(15)19)10-18-8-11(2)17(5)12(3)9-18/h11-12,16H,6-10H2,1-5H3,(H2,15,19)
InChIKeyQQMXHTNODBVTBH-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.25
Rot. Bonds6

About 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide

2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide (PubChem CID 114539368) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
PubChem CID114539368
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
SMILESCCCNC(C)(CN1CC(C)N(C)C(C)C1)C(N)=O
InChIInChI=1S/C14H30N4O/c1-6-7-16-14(4,13(15)19)10-18-8-11(2)17(5)12(3)9-18/h11-12,16H,6-10H2,1-5H3,(H2,15,19)
InChIKeyQQMXHTNODBVTBH-UHFFFAOYSA-N
XLogP0.25
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539436
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 63635938
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)propanamide
CID 64581749
2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(propylamino)propanamide
CID 79943230
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propylamino)propanamide
CID 102886196
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(ethylamino)-2-methylpropanamide
CID 115561578
methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539267
methyl 2-amino-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539439
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide
CID 62778180
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
CID 62974573
5-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 62330562
4-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(propylamino)butanamide
CID 62772520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide?
The IUPAC name of 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide (CID 114539368) is 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide is CCCNC(C)(CN1CC(C)N(C)C(C)C1)C(N)=O.
What is the InChIKey of 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide?
The InChIKey is QQMXHTNODBVTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-6-7-16-14(4,13(15)19)10-18-8-11(2)17(5)12(3)9-18/h11-12,16H,6-10H2,1-5H3,(H2,15,19).
What are the key properties of 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide?
2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide has a molecular weight of 270.42 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 114539368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).