4-(ethylamino)butyl 2-methylprop-2-enoate

C10H19NO2 — CID 87067321

IUPAC4-(ethylamino)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCNCC
InChIInChI=1S/C10H19NO2/c1-4-11-7-5-6-8-13-10(12)9(2)3/h11H,2,4-8H2,1,3H3
InChIKeyVORYQFSABDYCRB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds7

About 4-(ethylamino)butyl 2-methylprop-2-enoate

4-(ethylamino)butyl 2-methylprop-2-enoate (PubChem CID 87067321) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(ethylamino)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(ethylamino)butyl 2-methylprop-2-enoate
PubChem CID87067321
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(ethylamino)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCNCC
InChIInChI=1S/C10H19NO2/c1-4-11-7-5-6-8-13-10(12)9(2)3/h11H,2,4-8H2,1,3H3
InChIKeyVORYQFSABDYCRB-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
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

2-(Butylamino)ethyl 2-methylprop-2-enoate
CID 15774820
Dimethylaminobutyl methacrylate
CID 15597304
2-(Ethylamino)ethyl 2-methylprop-2-enoate
CID 18325612
4-Amino-butyl methacrylate
CID 22149420
N,N,N-trimethyl-N-4-methacryloxybutylammonium chloride
CID 22327705
2-Ethylpropylaminoethyl methacrylate
CID 54264290
Ethyl(methacryloyloxyethyl) ammonium iodide
CID 129772836
Ethylpropylaminoethyl methacrylate
CID 140254854
4-(t-Butoxycarbonylamino)butyl metacrylate
CID 162625178
1-(1-Fluorobutylamino)ethyl 2-methylprop-2-enoate
CID 87764825
4-(2,2,2-Trifluoroethylamino)butyl 2-methylprop-2-enoate
CID 157264734
2-(2,2-Difluorobutylamino)ethyl 2-methylprop-2-enoate
CID 157681286

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)butyl 2-methylprop-2-enoate?
The IUPAC name of 4-(ethylamino)butyl 2-methylprop-2-enoate (CID 87067321) is 4-(ethylamino)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(ethylamino)butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-(ethylamino)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCNCC.
What is the InChIKey of 4-(ethylamino)butyl 2-methylprop-2-enoate?
The InChIKey is VORYQFSABDYCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-11-7-5-6-8-13-10(12)9(2)3/h11H,2,4-8H2,1,3H3.
What are the key properties of 4-(ethylamino)butyl 2-methylprop-2-enoate?
4-(ethylamino)butyl 2-methylprop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 87067321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).