methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate

C14H23NO2 — CID 134607101

IUPACmethyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate
SMILESC=CCN(CC(=C)C(=O)OC)C1CCCCC1
InChIInChI=1S/C14H23NO2/c1-4-10-15(11-12(2)14(16)17-3)13-8-6-5-7-9-13/h4,13H,1-2,5-11H2,3H3
InChIKeyHANLDQASFZKCEW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.54
Rot. Bonds6

About methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate

methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate (PubChem CID 134607101) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate
PubChem CID134607101
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namemethyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate
SMILESC=CCN(CC(=C)C(=O)OC)C1CCCCC1
InChIInChI=1S/C14H23NO2/c1-4-10-15(11-12(2)14(16)17-3)13-8-6-5-7-9-13/h4,13H,1-2,5-11H2,3H3
InChIKeyHANLDQASFZKCEW-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate?
The IUPAC name of methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate (CID 134607101) is methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate is C=CCN(CC(=C)C(=O)OC)C1CCCCC1.
What is the InChIKey of methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate?
The InChIKey is HANLDQASFZKCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-10-15(11-12(2)14(16)17-3)13-8-6-5-7-9-13/h4,13H,1-2,5-11H2,3H3.
What are the key properties of methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate?
methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate has a molecular weight of 237.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclohexyl(prop-2-enyl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 134607101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).