ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate

C12H24N2O2 — CID 103249346

IUPACethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate
SMILESC=C(CNCCN(C)C(C)C)C(=O)OCC
InChIInChI=1S/C12H24N2O2/c1-6-16-12(15)11(4)9-13-7-8-14(5)10(2)3/h10,13H,4,6-9H2,1-3,5H3
InChIKeySEKVWKKNOFOHTD-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.04
Rot. Bonds8

About ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate

ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate (PubChem CID 103249346) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate
PubChem CID103249346
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate
SMILESC=C(CNCCN(C)C(C)C)C(=O)OCC
InChIInChI=1S/C12H24N2O2/c1-6-16-12(15)11(4)9-13-7-8-14(5)10(2)3/h10,13H,4,6-9H2,1-3,5H3
InChIKeySEKVWKKNOFOHTD-UHFFFAOYSA-N
XLogP1.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[4-(dimethylamino)butylamino]methyl]prop-2-enoate
CID 103244790
ethyl 2-[[2-(dimethylcarbamoylamino)ethylamino]methyl]prop-2-enoate
CID 103262400
N-ethyl-N-methyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
CID 62639952
N,N-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide;ethane
CID 170647127
ethyl 2-[(2,2-dimethylhydrazinyl)methyl]prop-2-enoate
CID 103261017
ethyl 2-[[3-(N-methylanilino)propylamino]methyl]prop-2-enoate
CID 103232573
2-[2-[methyl(propan-2-yl)amino]ethylamino]-N-propylacetamide
CID 62642701
ethyl 2-[(2-methylsulfinylpropylamino)methyl]prop-2-enoate
CID 103265743
ethyl 2-[(3-propoxypropylamino)methyl]prop-2-enoate
CID 103260774
ethyl 3-[2-(2-ethoxycarbonylprop-2-enylamino)ethyl-[2-[2-ethoxycarbonylprop-2-enyl-[2-(2-ethoxycarbonylprop-2-enylamino)ethyl]amino]ethyl]amino]-2,2-dimethylpropanoate
CID 163844495
ethyl 2-[(2,3-dihydroxypropylamino)methyl]prop-2-enoate
CID 103256238
ethyl 2-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]prop-2-enoate
CID 106178121

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate (CID 103249346) is ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate is C=C(CNCCN(C)C(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate?
The InChIKey is SEKVWKKNOFOHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-16-12(15)11(4)9-13-7-8-14(5)10(2)3/h10,13H,4,6-9H2,1-3,5H3.
What are the key properties of ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate?
ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate has a molecular weight of 228.34 g/mol, XLogP of 1.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]prop-2-enoate is sourced from PubChem (CID 103249346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).