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

C14H28N4O — CID 114539436

IUPAC2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
SMILESCC1CN(CC(C)(NC2CC2)C(N)=O)CC(C)N1C
InChIInChI=1S/C14H28N4O/c1-10-7-18(8-11(2)17(10)4)9-14(3,13(15)19)16-12-5-6-12/h10-12,16H,5-9H2,1-4H3,(H2,15,19)
InChIKeySNMGLVVJTTUQOD-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.01
Rot. Bonds5

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

2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide (PubChem CID 114539436) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
PubChem CID114539436
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
SMILESCC1CN(CC(C)(NC2CC2)C(N)=O)CC(C)N1C
InChIInChI=1S/C14H28N4O/c1-10-7-18(8-11(2)17(10)4)9-14(3,13(15)19)16-12-5-6-12/h10-12,16H,5-9H2,1-4H3,(H2,15,19)
InChIKeySNMGLVVJTTUQOD-UHFFFAOYSA-N
XLogP0.01
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanamide
CID 114539368
2-(cyclopropylamino)-4-(3,4-dimethylpyrrolidin-1-yl)-2-methylbutanamide
CID 79184111
2-(cyclopropylamino)-3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropanamide
CID 63165424
2-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)-2-methylpropanamide
CID 62230821
methyl 2-amino-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539439
2-(cyclopropylamino)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-methylpentanamide
CID 63634892
methyl 2-methyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539267
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentanamide
CID 104960286
2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide
CID 62122902
2-(cyclopropylamino)-5-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165814
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 115561436

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide (CID 114539436) is 2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide is CC1CN(CC(C)(NC2CC2)C(N)=O)CC(C)N1C.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide?
The InChIKey is SNMGLVVJTTUQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-10-7-18(8-11(2)17(10)4)9-14(3,13(15)19)16-12-5-6-12/h10-12,16H,5-9H2,1-4H3,(H2,15,19).
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide?
2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide has a molecular weight of 268.40 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 114539436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).