2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate

C14H27N3O2 — CID 66735577

IUPAC2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1CN(C(C)C)CN(C(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-6-14(18)19-8-7-15-9-16(12(2)3)11-17(10-15)13(4)5/h6,12-13H,1,7-11H2,2-5H3
InChIKeyWJQVHUIGXPIPSS-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.32
Rot. Bonds6

About 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate

2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate (PubChem CID 66735577) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
PubChem CID66735577
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN1CN(C(C)C)CN(C(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-6-14(18)19-8-7-15-9-16(12(2)3)11-17(10-15)13(4)5/h6,12-13H,1,7-11H2,2-5H3
InChIKeyWJQVHUIGXPIPSS-UHFFFAOYSA-N
XLogP1.32
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate with MolForge

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Related Compounds

2-(4-prop-2-enoylpiperazin-1-yl)ethyl prop-2-enoate
CID 18934215
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl prop-2-enoate
CID 58283249
2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate
CID 66735576
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate
CID 21325303
2-[1-[1-(2-prop-2-enoyloxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethyl prop-2-enoate
CID 23044366
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate
CID 154687080
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate?
The IUPAC name of 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate (CID 66735577) is 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate?
The canonical SMILES for 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate is C=CC(=O)OCCN1CN(C(C)C)CN(C(C)C)C1.
What is the InChIKey of 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate?
The InChIKey is WJQVHUIGXPIPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-6-14(18)19-8-7-15-9-16(12(2)3)11-17(10-15)13(4)5/h6,12-13H,1,7-11H2,2-5H3.
What are the key properties of 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate?
2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate has a molecular weight of 269.39 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate is sourced from PubChem (CID 66735577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).