2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone

C11H22N4O — CID 143292610

IUPAC2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone
SMILESCN/C=C(\C)NCC(=O)N1CCNCC1C
InChIInChI=1S/C11H22N4O/c1-9(6-12-3)14-8-11(16)15-5-4-13-7-10(15)2/h6,10,12-14H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyPVSKSZHJIVBVDR-RMKNXTFCSA-N
MW226.32 g/mol
LogP-0.52
Rot. Bonds4

About 2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone

2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone (PubChem CID 143292610) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone
PubChem CID143292610
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone
SMILESCN/C=C(\C)NCC(=O)N1CCNCC1C
InChIInChI=1S/C11H22N4O/c1-9(6-12-3)14-8-11(16)15-5-4-13-7-10(15)2/h6,10,12-14H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyPVSKSZHJIVBVDR-RMKNXTFCSA-N
XLogP-0.52
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone (CID 143292610) is 2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone is CN/C=C(\C)NCC(=O)N1CCNCC1C.
What is the InChIKey of 2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone?
The InChIKey is PVSKSZHJIVBVDR-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9(6-12-3)14-8-11(16)15-5-4-13-7-10(15)2/h6,10,12-14H,4-5,7-8H2,1-3H3/b9-6+.
What are the key properties of 2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone?
2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone has a molecular weight of 226.32 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-1-(methylamino)prop-1-en-2-yl]amino]-1-(2-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 143292610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).