1,3,5,8,10,12-hexazacyclotetradecan-2-ol

C8H22N6O — CID 90889389

IUPAC1,3,5,8,10,12-hexazacyclotetradecan-2-ol
SMILESOC1NCCNCNCNCCNCN1
InChIInChI=1S/C8H22N6O/c15-8-13-4-3-10-6-12-5-9-1-2-11-7-14-8/h8-15H,1-7H2
InChIKeyRQARYWPKNJNIIY-UHFFFAOYSA-N
MW218.30 g/mol
LogP-3.31
Rot. Bonds

About 1,3,5,8,10,12-hexazacyclotetradecan-2-ol

1,3,5,8,10,12-hexazacyclotetradecan-2-ol (PubChem CID 90889389) has the molecular formula C8H22N6O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,3,5,8,10,12-hexazacyclotetradecan-2-ol.

Molecular Properties

Compound Name1,3,5,8,10,12-hexazacyclotetradecan-2-ol
PubChem CID90889389
Molecular FormulaC8H22N6O
Molecular Weight218.30 g/mol
Exact Mass218.19
IUPAC Name1,3,5,8,10,12-hexazacyclotetradecan-2-ol
SMILESOC1NCCNCNCNCCNCN1
InChIInChI=1S/C8H22N6O/c15-8-13-4-3-10-6-12-5-9-1-2-11-7-14-8/h8-15H,1-7H2
InChIKeyRQARYWPKNJNIIY-UHFFFAOYSA-N
XLogP-3.31
TPSA92.41 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.30
LogP ≤ 5-3.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

1-[10-(1-Hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol
CID 91102296
3,10-(alpha-Hydroxyethyl) 1,3,5,8,10,12-hexaza-cyclotetradecane
CID 129835259
[2-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]methanol
CID 20251719
1-[[2-(2-Aminoethylamino)ethylamino]methylamino]ethanol
CID 57058996
1,4,7,10-Tetrazabicyclo[8.2.1]tridecan-13-ol
CID 58637857
Tris(2-aminoethylamino)methanol
CID 87239432
1,1,2-Tris(2-aminoethylamino)ethanol
CID 87239484
1-(2-Aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol
CID 87393844
1,3-Bis[2-(hydroxymethylcarbamoylamino)ethyl]urea
CID 89087658
Amino-(2-aminoethylamino)methanol
CID 146878448
[3,5-Bis(2-aminoethyl)-1,3,5-triazinan-1-yl]methanol
CID 122229354

Frequently Asked Questions

What is the IUPAC name of 1,3,5,8,10,12-hexazacyclotetradecan-2-ol?
The IUPAC name of 1,3,5,8,10,12-hexazacyclotetradecan-2-ol (CID 90889389) is 1,3,5,8,10,12-hexazacyclotetradecan-2-ol.
What is the SMILES notation for 1,3,5,8,10,12-hexazacyclotetradecan-2-ol?
The canonical SMILES for 1,3,5,8,10,12-hexazacyclotetradecan-2-ol is OC1NCCNCNCNCCNCN1.
What is the InChIKey of 1,3,5,8,10,12-hexazacyclotetradecan-2-ol?
The InChIKey is RQARYWPKNJNIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N6O/c15-8-13-4-3-10-6-12-5-9-1-2-11-7-14-8/h8-15H,1-7H2.
What are the key properties of 1,3,5,8,10,12-hexazacyclotetradecan-2-ol?
1,3,5,8,10,12-hexazacyclotetradecan-2-ol has a molecular weight of 218.30 g/mol, XLogP of -3.31, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,8,10,12-hexazacyclotetradecan-2-ol is sourced from PubChem (CID 90889389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).