ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate

C15H27NO2 — CID 103252807

IUPACethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate
SMILESC=C(CNCCC1CCCC(C)C1)C(=O)OCC
InChIInChI=1S/C15H27NO2/c1-4-18-15(17)13(3)11-16-9-8-14-7-5-6-12(2)10-14/h12,14,16H,3-11H2,1-2H3
InChIKeyZKQHYSFNUNJGDL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.91
Rot. Bonds7

About ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate

ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate (PubChem CID 103252807) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate
PubChem CID103252807
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate
SMILESC=C(CNCCC1CCCC(C)C1)C(=O)OCC
InChIInChI=1S/C15H27NO2/c1-4-18-15(17)13(3)11-16-9-8-14-7-5-6-12(2)10-14/h12,14,16H,3-11H2,1-2H3
InChIKeyZKQHYSFNUNJGDL-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.91
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'}

Analyze ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate (CID 103252807) is ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate is C=C(CNCCC1CCCC(C)C1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate?
The InChIKey is ZKQHYSFNUNJGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-18-15(17)13(3)11-16-9-8-14-7-5-6-12(2)10-14/h12,14,16H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate?
ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate has a molecular weight of 253.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-methylcyclohexyl)ethylamino]methyl]prop-2-enoate is sourced from PubChem (CID 103252807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).