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

C11H21NO2 — CID 87067638

IUPAC4-[ethyl(methyl)amino]butyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OCCCCN(C)CC
InChIInChI=1S/C11H21NO2/c1-4-8-11(13)14-10-7-6-9-12(3)5-2/h4,8H,5-7,9-10H2,1-3H3/b8-4+
InChIKeyAQTBTPRQZGNHIB-XBXARRHUSA-N
MW199.29 g/mol
LogP1.84
Rot. Bonds7

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

4-[ethyl(methyl)amino]butyl (E)-but-2-enoate (PubChem CID 87067638) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]butyl (E)-but-2-enoate.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]butyl (E)-but-2-enoate
PubChem CID87067638
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[ethyl(methyl)amino]butyl (E)-but-2-enoate
SMILESC/C=C/C(=O)OCCCCN(C)CC
InChIInChI=1S/C11H21NO2/c1-4-8-11(13)14-10-7-6-9-12(3)5-2/h4,8H,5-7,9-10H2,1-3H3/b8-4+
InChIKeyAQTBTPRQZGNHIB-XBXARRHUSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-(diethylamino)pentyl (E)-but-2-enoate
CID 87067527
dodecyl (E)-but-2-enoate
CID 5462914
5-(diethylamino)pentyl hexa-2,4-dienoate
CID 54508576
6-(diethylamino)hexyl (2E,4E)-hexa-2,4-dienoate
CID 21249786
bis[6-(dimethylamino)hexyl] (Z)-but-2-enedioate
CID 87123530
5-(dimethylamino)pentyl hexa-2,4-dienoate
CID 54421505
8-trichlorosilyloctyl but-2-enoate
CID 174105922
9-trichlorosilylnonyl but-2-enoate
CID 174105776
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]butyl (E)-but-2-enoate?
The IUPAC name of 4-[ethyl(methyl)amino]butyl (E)-but-2-enoate (CID 87067638) is 4-[ethyl(methyl)amino]butyl (E)-but-2-enoate.
What is the SMILES notation for 4-[ethyl(methyl)amino]butyl (E)-but-2-enoate?
The canonical SMILES for 4-[ethyl(methyl)amino]butyl (E)-but-2-enoate is C/C=C/C(=O)OCCCCN(C)CC.
What is the InChIKey of 4-[ethyl(methyl)amino]butyl (E)-but-2-enoate?
The InChIKey is AQTBTPRQZGNHIB-XBXARRHUSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-8-11(13)14-10-7-6-9-12(3)5-2/h4,8H,5-7,9-10H2,1-3H3/b8-4+.
What are the key properties of 4-[ethyl(methyl)amino]butyl (E)-but-2-enoate?
4-[ethyl(methyl)amino]butyl (E)-but-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]butyl (E)-but-2-enoate is sourced from PubChem (CID 87067638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).