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

C13H26N4O — CID 102875219

IUPAC2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN(CCN)C2CCC2)CC1
InChIInChI=1S/C13H26N4O/c1-15-7-9-16(10-8-15)13(18)11-17(6-5-14)12-3-2-4-12/h12H,2-11,14H2,1H3
InChIKeyMOILFXJUGYFJLA-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.43
Rot. Bonds5

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

2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 102875219) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID102875219
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN(CCN)C2CCC2)CC1
InChIInChI=1S/C13H26N4O/c1-15-7-9-16(10-8-15)13(18)11-17(6-5-14)12-3-2-4-12/h12H,2-11,14H2,1H3
InChIKeyMOILFXJUGYFJLA-UHFFFAOYSA-N
XLogP-0.43
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(cyclopropyl)amino]-1-morpholin-4-ylethanone
CID 61349753
2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
CID 43319620
2-[2-aminoethyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 61348571
2-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 107494811
N-cycloheptyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113153043
2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 62006395
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481
2-[methanidyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 123763074
1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone
CID 75434558
2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone
CID 71858831
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
2-[2-aminoethyl(cyclohexyl)amino]-N,N-diethylacetamide
CID 63760461

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 102875219) is 2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN(CCN)C2CCC2)CC1.
What is the InChIKey of 2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MOILFXJUGYFJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-15-7-9-16(10-8-15)13(18)11-17(6-5-14)12-3-2-4-12/h12H,2-11,14H2,1H3.
What are the key properties of 2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 254.38 g/mol, XLogP of -0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 102875219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).