[2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate

C12H24N2O2 — CID 57050528

IUPAC[2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(N)CCN(CC)CC
InChIInChI=1S/C12H24N2O2/c1-5-14(6-2)8-7-11(13)9-16-12(15)10(3)4/h11H,3,5-9,13H2,1-2,4H3
InChIKeyCTADWMSNVWZOMT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.16
Rot. Bonds8

About [2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate

[2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate (PubChem CID 57050528) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate
PubChem CID57050528
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(N)CCN(CC)CC
InChIInChI=1S/C12H24N2O2/c1-5-14(6-2)8-7-11(13)9-16-12(15)10(3)4/h11H,3,5-9,13H2,1-2,4H3
InChIKeyCTADWMSNVWZOMT-UHFFFAOYSA-N
XLogP1.16
TPSA55.56 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
4-(diethylamino)butan-2-yl 2-methylprop-2-enoate
CID 142730754
1-(diethylamino)pentan-3-yl 2-methylprop-2-enoate
CID 150692893
(3R)-3-amino-5-(diethylamino)pentan-2-one
CID 88995223
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate
CID 57254396
[2-hydroxy-3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-propylamino]propyl] 2-methylprop-2-enoate
CID 87760965
2-isocyanobutyl 2-methylprop-2-enoate
CID 141496484
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
2-(diethylamino)ethyl 2-methylprop-2-enoate;diethyl sulfate
CID 162214981

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate?
The IUPAC name of [2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate (CID 57050528) is [2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(N)CCN(CC)CC.
What is the InChIKey of [2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate?
The InChIKey is CTADWMSNVWZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-14(6-2)8-7-11(13)9-16-12(15)10(3)4/h11H,3,5-9,13H2,1-2,4H3.
What are the key properties of [2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate?
[2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate has a molecular weight of 228.34 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(diethylamino)butyl] 2-methylprop-2-enoate is sourced from PubChem (CID 57050528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).