2-(dicyclopentylamino)ethyl prop-2-enoate

C15H25NO2 — CID 176910236

IUPAC2-(dicyclopentylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(C1CCCC1)C1CCCC1
InChIInChI=1S/C15H25NO2/c1-2-15(17)18-12-11-16(13-7-3-4-8-13)14-9-5-6-10-14/h2,13-14H,1,3-12H2
InChIKeyXNLIWGSIJWTVMN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.90
Rot. Bonds6

About 2-(dicyclopentylamino)ethyl prop-2-enoate

2-(dicyclopentylamino)ethyl prop-2-enoate (PubChem CID 176910236) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(dicyclopentylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(dicyclopentylamino)ethyl prop-2-enoate
PubChem CID176910236
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(dicyclopentylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(C1CCCC1)C1CCCC1
InChIInChI=1S/C15H25NO2/c1-2-15(17)18-12-11-16(13-7-3-4-8-13)14-9-5-6-10-14/h2,13-14H,1,3-12H2
InChIKeyXNLIWGSIJWTVMN-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate
CID 54512392
2-[bis(ethenyl)amino]ethyl prop-2-enoate
CID 87899384
[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
CID 90972924
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027
2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
CID 59129651
hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 174724217
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
2-[bis(methylamino)amino]ethyl prop-2-enoate
CID 150657470
2-[acetyl(propyl)amino]ethyl prop-2-enoate
CID 118477118
2-[cyclohexyl(prop-2-enoyl)amino]ethyl 2-methylprop-2-enoate
CID 118885910
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopentylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(dicyclopentylamino)ethyl prop-2-enoate (CID 176910236) is 2-(dicyclopentylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(dicyclopentylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(dicyclopentylamino)ethyl prop-2-enoate is C=CC(=O)OCCN(C1CCCC1)C1CCCC1.
What is the InChIKey of 2-(dicyclopentylamino)ethyl prop-2-enoate?
The InChIKey is XNLIWGSIJWTVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-15(17)18-12-11-16(13-7-3-4-8-13)14-9-5-6-10-14/h2,13-14H,1,3-12H2.
What are the key properties of 2-(dicyclopentylamino)ethyl prop-2-enoate?
2-(dicyclopentylamino)ethyl prop-2-enoate has a molecular weight of 251.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopentylamino)ethyl prop-2-enoate is sourced from PubChem (CID 176910236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).