2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone

C12H26N4O — CID 61348571

IUPAC2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(C)N(CCN)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-11(2)16(5-4-13)10-12(17)15-8-6-14(3)7-9-15/h11H,4-10,13H2,1-3H3
InChIKeyHFGSQPOCGQEYNX-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.57
Rot. Bonds5

About 2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 61348571) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID61348571
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(C)N(CCN)CC(=O)N1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-11(2)16(5-4-13)10-12(17)15-8-6-14(3)7-9-15/h11H,4-10,13H2,1-3H3
InChIKeyHFGSQPOCGQEYNX-UHFFFAOYSA-N
XLogP-0.57
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
2-[(2-methylcyclopropyl)methyl-propan-2-ylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 84595704
2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 102875219
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 107494811
1-(azocan-1-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]ethanone
CID 60696591
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 123763074
2-methyl-3-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]propanoic acid
CID 55007832
3-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]propanethioamide
CID 54996516
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148449
4-[(2-oxo-2-pyrrolidin-1-ylethyl)-propan-2-ylamino]butanoic acid
CID 54925850
2-[(1-amino-2-methylbutan-2-yl)-propylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62009786

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 61348571) is 2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone is CC(C)N(CCN)CC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HFGSQPOCGQEYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-11(2)16(5-4-13)10-12(17)15-8-6-14(3)7-9-15/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 242.37 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 61348571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).