2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol

C12H30N6O2 — CID 6394558

IUPAC2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol
SMILESOCCN1CNCCNCN(CCO)CNCCNC1
InChIInChI=1S/C12H30N6O2/c19-7-5-17-9-13-1-2-14-10-18(6-8-20)12-16-4-3-15-11-17/h13-16,19-20H,1-12H2
InChIKeyIOVSVKUTUAMBCJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP-3.22
Rot. Bonds4

About 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol

2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol (PubChem CID 6394558) has the molecular formula C12H30N6O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol.

Molecular Properties

Compound Name2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol
PubChem CID6394558
Molecular FormulaC12H30N6O2
Molecular Weight290.41 g/mol
Exact Mass290.24
IUPAC Name2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol
SMILESOCCN1CNCCNCN(CCO)CNCCNC1
InChIInChI=1S/C12H30N6O2/c19-7-5-17-9-13-1-2-14-10-18(6-8-20)12-16-4-3-15-11-17/h13-16,19-20H,1-12H2
InChIKeyIOVSVKUTUAMBCJ-UHFFFAOYSA-N
XLogP-3.22
TPSA95.06 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 5-3.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((2-Aminoethyl)(2-((2-hydroxyethyl)amino)ethyl)amino)ethanol
CID 162390
2,2'-((2-((2-Hydroxyethyl)amino)ethyl)imino)bisethanol
CID 108950
1,3-Bis[2-(2-hydroxyethylamino)ethyl]thiourea
CID 3780282
2-(1,4,7,10-Tetraazacyclododecan-1-yl)ethan-1-ol
CID 12963738
2,2'-(Methylenediazanediyl)di(ethan-1-ol)
CID 13307728
Bis(hydroxyethyl)triethylenetetramine
CID 129760777
3,6,9,12,15-Pentaazaheptadecane-1,17-diol
CID 76686
2,2'-((2-((2-((2-Hydroxyethyl)amino)ethyl)amino)ethyl)imino)bisethanol
CID 108951
2,2'-((2-((2-Aminoethyl)amino)ethyl)azanediyl)di(ethan-1-ol)
CID 19893087
2-[2-[2-Hydroxyethyl-[2-(2-hydroxyethylamino)ethyl]amino]ethylamino]ethanol
CID 53422709
3-Hydroxyethyl-1,3,5,8,12-pentaazacyclotetradecane
CID 11081665
1-[10-(1-Hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol
CID 91102296

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol?
The IUPAC name of 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol (CID 6394558) is 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol.
What is the SMILES notation for 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol?
The canonical SMILES for 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol is OCCN1CNCCNCN(CCO)CNCCNC1.
What is the InChIKey of 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol?
The InChIKey is IOVSVKUTUAMBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N6O2/c19-7-5-17-9-13-1-2-14-10-18(6-8-20)12-16-4-3-15-11-17/h13-16,19-20H,1-12H2.
What are the key properties of 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol?
2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol has a molecular weight of 290.41 g/mol, XLogP of -3.22, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2-hydroxyethyl)-1,3,5,8,10,12-hexazacyclotetradec-3-yl]ethanol is sourced from PubChem (CID 6394558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).