2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate

C12H21NO2 — CID 141191229

IUPAC2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate
SMILESC=C(C(=O)OCC(C)N(C)C)/C(C)=C/C
InChIInChI=1S/C12H21NO2/c1-7-9(2)11(4)12(14)15-8-10(3)13(5)6/h7,10H,4,8H2,1-3,5-6H3/b9-7+
InChIKeyAEGSXYVZHAOCFD-VQHVLOKHSA-N
MW211.30 g/mol
LogP2.00
Rot. Bonds5

About 2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate

2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate (PubChem CID 141191229) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate.

Molecular Properties

Compound Name2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate
PubChem CID141191229
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate
SMILESC=C(C(=O)OCC(C)N(C)C)/C(C)=C/C
InChIInChI=1S/C12H21NO2/c1-7-9(2)11(4)12(14)15-8-10(3)13(5)6/h7,10H,4,8H2,1-3,5-6H3/b9-7+
InChIKeyAEGSXYVZHAOCFD-VQHVLOKHSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)propyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158771008
[(2R)-2-methylbutyl] (Z)-2-methylbut-2-enoate
CID 92973620
2-(dimethylamino)propyl prop-2-enoate;prop-2-enoic acid
CID 154945547
3-O-[3-(2-ethoxycarbonylprop-2-enoyloxy)-2-methylpropyl] 1-O-ethyl 2-methylidenepropanedioate
CID 155375651
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(3-hydroxy-2-methylpentyl) 2-methylbut-2-enoate
CID 57255254
bis(2-methylpropyl) (E)-2-methyl-4-methylidenepent-2-enedioate;ethene
CID 142644366
[2-methyl-3-(2-methylpropanoyloxy)propyl] 2-methylbut-2-enoate
CID 163045211
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate
CID 57254396
2-(dimethylamino)propyl 3-oxo-2-pyrrolidin-1-ylprop-2-enoate
CID 141122455
[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate
CID 175067527

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate?
The IUPAC name of 2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate (CID 141191229) is 2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate.
What is the SMILES notation for 2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate?
The canonical SMILES for 2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate is C=C(C(=O)OCC(C)N(C)C)/C(C)=C/C.
What is the InChIKey of 2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate?
The InChIKey is AEGSXYVZHAOCFD-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H21NO2/c1-7-9(2)11(4)12(14)15-8-10(3)13(5)6/h7,10H,4,8H2,1-3,5-6H3/b9-7+.
What are the key properties of 2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate?
2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate has a molecular weight of 211.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propyl (E)-3-methyl-2-methylidenepent-3-enoate is sourced from PubChem (CID 141191229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).