ethyl 2-methylprop-2-enoate;propan-1-amine

C9H19NO2 — CID 18325557

IUPACethyl 2-methylprop-2-enoate;propan-1-amine
SMILESC=C(C)C(=O)OCC.CCCN
InChIInChI=1S/C6H10O2.C3H9N/c1-4-8-6(7)5(2)3;1-2-3-4/h2,4H2,1,3H3;2-4H2,1H3
InChIKeyBOIYCMNLBUBRQW-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.48
Rot. Bonds3

About ethyl 2-methylprop-2-enoate;propan-1-amine

ethyl 2-methylprop-2-enoate;propan-1-amine (PubChem CID 18325557) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;propan-1-amine.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;propan-1-amine
PubChem CID18325557
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 2-methylprop-2-enoate;propan-1-amine
SMILESC=C(C)C(=O)OCC.CCCN
InChIInChI=1S/C6H10O2.C3H9N/c1-4-8-6(7)5(2)3;1-2-3-4/h2,4H2,1,3H3;2-4H2,1H3
InChIKeyBOIYCMNLBUBRQW-UHFFFAOYSA-N
XLogP1.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.48
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

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2-(2-Methyl-acryloyloxy)-ethyl-ammonium
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Ethyl 2-(aminomethyl)prop-2-enoate
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2-Propenoic acid, 2-methyl-, 3-aminopropyl ester
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4-Amino-butyl methacrylate
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Amino ethyl methacrylate
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Methacryloyloxyethylammonium bromide
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylprop-2-enoate;propan-1-amine?
The IUPAC name of ethyl 2-methylprop-2-enoate;propan-1-amine (CID 18325557) is ethyl 2-methylprop-2-enoate;propan-1-amine.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;propan-1-amine?
The canonical SMILES for ethyl 2-methylprop-2-enoate;propan-1-amine is C=C(C)C(=O)OCC.CCCN.
What is the InChIKey of ethyl 2-methylprop-2-enoate;propan-1-amine?
The InChIKey is BOIYCMNLBUBRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H9N/c1-4-8-6(7)5(2)3;1-2-3-4/h2,4H2,1,3H3;2-4H2,1H3.
What are the key properties of ethyl 2-methylprop-2-enoate;propan-1-amine?
ethyl 2-methylprop-2-enoate;propan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;propan-1-amine is sourced from PubChem (CID 18325557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).