2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol

C12H27N3O3 — CID 66922711

IUPAC2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol
SMILESCC1N(CCO)CN(CCO)C(C)(C)N1CCO
InChIInChI=1S/C12H27N3O3/c1-11-13(4-7-16)10-14(5-8-17)12(2,3)15(11)6-9-18/h11,16-18H,4-10H2,1-3H3
InChIKeyIAXNKKUBDYAXBW-UHFFFAOYSA-N
MW261.37 g/mol
LogP-1.08
Rot. Bonds6

About 2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol

2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol (PubChem CID 66922711) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol
PubChem CID66922711
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC Name2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol
SMILESCC1N(CCO)CN(CCO)C(C)(C)N1CCO
InChIInChI=1S/C12H27N3O3/c1-11-13(4-7-16)10-14(5-8-17)12(2,3)15(11)6-9-18/h11,16-18H,4-10H2,1-3H3
InChIKeyIAXNKKUBDYAXBW-UHFFFAOYSA-N
XLogP-1.08
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol?
The IUPAC name of 2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol (CID 66922711) is 2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol?
The canonical SMILES for 2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol is CC1N(CCO)CN(CCO)C(C)(C)N1CCO.
What is the InChIKey of 2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol?
The InChIKey is IAXNKKUBDYAXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c1-11-13(4-7-16)10-14(5-8-17)12(2,3)15(11)6-9-18/h11,16-18H,4-10H2,1-3H3.
What are the key properties of 2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol?
2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol has a molecular weight of 261.37 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol is sourced from PubChem (CID 66922711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).