methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate

C10H20N2O2 — CID 77074171

IUPACmethyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate
SMILESCNCCN(C)CC=C(C)C(=O)OC
InChIInChI=1S/C10H20N2O2/c1-9(10(13)14-4)5-7-12(3)8-6-11-2/h5,11H,6-8H2,1-4H3
InChIKeyFNMSYIPZZQFTBO-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.26
Rot. Bonds6

About methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate

methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate (PubChem CID 77074171) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate
PubChem CID77074171
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate
SMILESCNCCN(C)CC=C(C)C(=O)OC
InChIInChI=1S/C10H20N2O2/c1-9(10(13)14-4)5-7-12(3)8-6-11-2/h5,11H,6-8H2,1-4H3
InChIKeyFNMSYIPZZQFTBO-UHFFFAOYSA-N
XLogP0.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate?
The IUPAC name of methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate (CID 77074171) is methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate is CNCCN(C)CC=C(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate?
The InChIKey is FNMSYIPZZQFTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(10(13)14-4)5-7-12(3)8-6-11-2/h5,11H,6-8H2,1-4H3.
What are the key properties of methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate?
methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[methyl-[2-(methylamino)ethyl]amino]but-2-enoate is sourced from PubChem (CID 77074171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).