ethyl 2-methyl-4-(propylamino)pent-2-enoate

C11H21NO2 — CID 146443436

IUPACethyl 2-methyl-4-(propylamino)pent-2-enoate
SMILESCCCNC(C)C=C(C)C(=O)OCC
InChIInChI=1S/C11H21NO2/c1-5-7-12-10(4)8-9(3)11(13)14-6-2/h8,10,12H,5-7H2,1-4H3
InChIKeyIKLYXWZGKNHVNL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds6

About ethyl 2-methyl-4-(propylamino)pent-2-enoate

ethyl 2-methyl-4-(propylamino)pent-2-enoate (PubChem CID 146443436) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-methyl-4-(propylamino)pent-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(propylamino)pent-2-enoate
PubChem CID146443436
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-methyl-4-(propylamino)pent-2-enoate
SMILESCCCNC(C)C=C(C)C(=O)OCC
InChIInChI=1S/C11H21NO2/c1-5-7-12-10(4)8-9(3)11(13)14-6-2/h8,10,12H,5-7H2,1-4H3
InChIKeyIKLYXWZGKNHVNL-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
ethyl (E)-4-(dimethylamino)-2,5-dimethylhex-2-enoate
CID 88573956
ethyl (E,4S)-2,4-dimethyl-5-oxopent-2-enoate
CID 53392007
ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
CID 10488247
ethyl 2,5-dimethyl-4-(methylamino)hex-2-enoate;hydrochloride
CID 138108121
ethyl 2-methyl-4-(methylamino)hex-2-enoate
CID 173010838
ethyl (E)-2,4-dimethylhenicos-2-enoate
CID 5369344
ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl 2-(propylamino)butanoate
CID 60795885
ethyl 2-methyl-3-(propan-2-ylamino)prop-2-enoate
CID 171480672
azane;ethyl 4-amino-2-methylhex-2-enoate
CID 173072927
ethyl (E)-2-methyl-4-(methylamino)-4-propan-2-yliodanuidylbut-2-enoate
CID 163900618

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(propylamino)pent-2-enoate?
The IUPAC name of ethyl 2-methyl-4-(propylamino)pent-2-enoate (CID 146443436) is ethyl 2-methyl-4-(propylamino)pent-2-enoate.
What is the SMILES notation for ethyl 2-methyl-4-(propylamino)pent-2-enoate?
The canonical SMILES for ethyl 2-methyl-4-(propylamino)pent-2-enoate is CCCNC(C)C=C(C)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-4-(propylamino)pent-2-enoate?
The InChIKey is IKLYXWZGKNHVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-7-12-10(4)8-9(3)11(13)14-6-2/h8,10,12H,5-7H2,1-4H3.
What are the key properties of ethyl 2-methyl-4-(propylamino)pent-2-enoate?
ethyl 2-methyl-4-(propylamino)pent-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(propylamino)pent-2-enoate is sourced from PubChem (CID 146443436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).