3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate

C14H25NO2 — CID 54512392

IUPAC3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate
SMILESC=CC(=O)OCCCN(CC)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-3-14(16)17-12-8-11-15(4-2)13-9-6-5-7-10-13/h3,13H,1,4-12H2,2H3
InChIKeyYKAZUKHQYVCXRL-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.76
Rot. Bonds7

About 3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate

3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate (PubChem CID 54512392) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate
PubChem CID54512392
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate
SMILESC=CC(=O)OCCCN(CC)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-3-14(16)17-12-8-11-15(4-2)13-9-6-5-7-10-13/h3,13H,1,4-12H2,2H3
InChIKeyYKAZUKHQYVCXRL-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
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-(dicyclopentylamino)ethyl prop-2-enoate
CID 176910236
bis[2-[cyclohexyl(ethyl)amino]ethyl] carbonate;hydrochloride
CID 141089357
2-[[4-[(1,2-dimethyl-3,5-dioxopyrazolidin-4-ylidene)methyl]cyclohexyl]-ethylamino]ethyl prop-2-enoate
CID 140534526
N,N-diethylcycloundecanamine
CID 163828609
N-[2-(2-aminoethoxy)ethyl]-N-ethylcyclohexanamine
CID 19098628
3-[ethyl(2-hydroxyethyl)amino]propyl prop-2-enoate;hydrobromide
CID 173034939
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
cyclohexyl prop-2-enoate;octadec-9-enyl prop-2-enoate
CID 67765050
5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate
CID 69230771
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
6-ethoxyhexyl prop-2-enoate
CID 88877184
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate (CID 54512392) is 3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate is C=CC(=O)OCCCN(CC)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate?
The InChIKey is YKAZUKHQYVCXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-14(16)17-12-8-11-15(4-2)13-9-6-5-7-10-13/h3,13H,1,4-12H2,2H3.
What are the key properties of 3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate?
3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate has a molecular weight of 239.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)amino]propyl prop-2-enoate is sourced from PubChem (CID 54512392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).