2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate

C14H28N2O2 — CID 57123819

IUPAC2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate
SMILESCCN(CC)CCC=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C14H28N2O2/c1-6-16(7-2)10-8-9-13(3)14(17)18-12-11-15(4)5/h9H,6-8,10-12H2,1-5H3
InChIKeyWOKUVKCSQMCJFQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.77
Rot. Bonds9

About 2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate

2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate (PubChem CID 57123819) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate
PubChem CID57123819
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate
SMILESCCN(CC)CCC=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C14H28N2O2/c1-6-16(7-2)10-8-9-13(3)14(17)18-12-11-15(4)5/h9H,6-8,10-12H2,1-5H3
InChIKeyWOKUVKCSQMCJFQ-UHFFFAOYSA-N
XLogP1.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate (CID 57123819) is 2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate is CCN(CC)CCC=C(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate?
The InChIKey is WOKUVKCSQMCJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-16(7-2)10-8-9-13(3)14(17)18-12-11-15(4)5/h9H,6-8,10-12H2,1-5H3.
What are the key properties of 2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate?
2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate has a molecular weight of 256.39 g/mol, XLogP of 1.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 5-(diethylamino)-2-methylpent-2-enoate is sourced from PubChem (CID 57123819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).