2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol

C15H35N5O — CID 57224817

IUPAC2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol
SMILESCN(C)CCCN1CN(CCO)CN(CCCN(C)C)C1
InChIInChI=1S/C15H35N5O/c1-16(2)7-5-9-18-13-19(10-6-8-17(3)4)15-20(14-18)11-12-21/h21H,5-15H2,1-4H3
InChIKeyLHACVTZKOCVDBZ-UHFFFAOYSA-N
MW301.48 g/mol
LogP-0.33
Rot. Bonds10

About 2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol

2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol (PubChem CID 57224817) has the molecular formula C15H35N5O and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol
PubChem CID57224817
Molecular FormulaC15H35N5O
Molecular Weight301.48 g/mol
Exact Mass301.28
IUPAC Name2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol
SMILESCN(C)CCCN1CN(CCO)CN(CCCN(C)C)C1
InChIInChI=1S/C15H35N5O/c1-16(2)7-5-9-18-13-19(10-6-8-17(3)4)15-20(14-18)11-12-21/h21H,5-15H2,1-4H3
InChIKeyLHACVTZKOCVDBZ-UHFFFAOYSA-N
XLogP-0.33
TPSA36.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol?
The IUPAC name of 2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol (CID 57224817) is 2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol?
The canonical SMILES for 2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol is CN(C)CCCN1CN(CCO)CN(CCCN(C)C)C1.
What is the InChIKey of 2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol?
The InChIKey is LHACVTZKOCVDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N5O/c1-16(2)7-5-9-18-13-19(10-6-8-17(3)4)15-20(14-18)11-12-21/h21H,5-15H2,1-4H3.
What are the key properties of 2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol?
2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol has a molecular weight of 301.48 g/mol, XLogP of -0.33, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol is sourced from PubChem (CID 57224817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).