methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate

C12H24N2O2 — CID 79897133

IUPACmethyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate
SMILESCOC(=O)C=CN(CCN(C)C)CC(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2)10-14(9-8-13(3)4)7-6-12(15)16-5/h6-7,11H,8-10H2,1-5H3
InChIKeyYNPYABLAAWLXMX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds7

About methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate

methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate (PubChem CID 79897133) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate
PubChem CID79897133
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate
SMILESCOC(=O)C=CN(CCN(C)C)CC(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2)10-14(9-8-13(3)4)7-6-12(15)16-5/h6-7,11H,8-10H2,1-5H3
InChIKeyYNPYABLAAWLXMX-UHFFFAOYSA-N
XLogP1.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-cyanoethyl(2-methylpropyl)amino]prop-2-enoate
CID 79896170
methyl (Z)-5-(dimethylamino)pent-2-enoate
CID 117272420
3-[bis(2-methylpropyl)amino]prop-2-enoic acid
CID 79896068
methyl 3-[methyl(propyl)amino]prop-2-enoate
CID 79889861
methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate
CID 79896779
methyl (E)-3-[bis(prop-2-ynyl)amino]prop-2-enoate
CID 5370662
methyl 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]butanoate
CID 55010482
methyl 3-[1-cyanopropan-2-yl(methyl)amino]prop-2-enoate
CID 79897229
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79620913
methyl 3-[formyl(2-methylpropyl)amino]propanoate
CID 64992915
(E)-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]but-2-enoic acid
CID 62343537
methyl 3-[ethyl(2,2,2-trifluoroethyl)amino]prop-2-enoate
CID 79896870

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate?
The IUPAC name of methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate (CID 79897133) is methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate?
The canonical SMILES for methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate is COC(=O)C=CN(CCN(C)C)CC(C)C.
What is the InChIKey of methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate?
The InChIKey is YNPYABLAAWLXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2)10-14(9-8-13(3)4)7-6-12(15)16-5/h6-7,11H,8-10H2,1-5H3.
What are the key properties of methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate?
methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate has a molecular weight of 228.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]prop-2-enoate is sourced from PubChem (CID 79897133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).