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

C14H27N3O2 — CID 66735576

IUPAC2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1NCN(C(C)C)CN1C(C)C
InChIInChI=1S/C14H27N3O2/c1-6-14(18)19-8-7-13-15-9-16(11(2)3)10-17(13)12(4)5/h6,11-13,15H,1,7-10H2,2-5H3
InChIKeyBIRGZGMSXPZVPQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.37
Rot. Bonds6

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

2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate (PubChem CID 66735576) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate
PubChem CID66735576
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1NCN(C(C)C)CN1C(C)C
InChIInChI=1S/C14H27N3O2/c1-6-14(18)19-8-7-13-15-9-16(11(2)3)10-17(13)12(4)5/h6,11-13,15H,1,7-10H2,2-5H3
InChIKeyBIRGZGMSXPZVPQ-UHFFFAOYSA-N
XLogP1.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1,5-di(butan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate
CID 66735654
2-[3,5-di(propan-2-yl)-1,3,5-triazinan-1-yl]ethyl prop-2-enoate
CID 66735577
2-[1-(3,5-dimethylcyclohexyl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate
CID 66735379
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
(1,5-dipentyl-1,3,5-triazinan-2-yl)methyl prop-2-enoate
CID 66735578
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[4-butyl-1-(2-prop-2-enoyloxyethyl)cyclohexyl]ethyl prop-2-enoate
CID 129143051
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027
3-phosphonoperoxypropyl prop-2-enoate
CID 175459506

Frequently Asked Questions

What is the IUPAC name of 2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate?
The IUPAC name of 2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate (CID 66735576) is 2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate?
The canonical SMILES for 2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate is C=CC(=O)OCCC1NCN(C(C)C)CN1C(C)C.
What is the InChIKey of 2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate?
The InChIKey is BIRGZGMSXPZVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-6-14(18)19-8-7-13-15-9-16(11(2)3)10-17(13)12(4)5/h6,11-13,15H,1,7-10H2,2-5H3.
What are the key properties of 2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate?
2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate has a molecular weight of 269.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-di(propan-2-yl)-1,3,5-triazinan-2-yl]ethyl prop-2-enoate is sourced from PubChem (CID 66735576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).