2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol

C11H27N5O — CID 11081665

IUPAC2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol
SMILESOCCN1CNCCNCCCNCCNC1
InChIInChI=1S/C11H27N5O/c17-9-8-16-10-14-6-4-12-2-1-3-13-5-7-15-11-16/h12-15,17H,1-11H2
InChIKeyGQXDOPHIVTUDAQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP-2.04
Rot. Bonds2

About 2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol

2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol (PubChem CID 11081665) has the molecular formula C11H27N5O and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol
PubChem CID11081665
Molecular FormulaC11H27N5O
Molecular Weight245.37 g/mol
Exact Mass245.22
IUPAC Name2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol
SMILESOCCN1CNCCNCCCNCCNC1
InChIInChI=1S/C11H27N5O/c17-9-8-16-10-14-6-4-12-2-1-3-13-5-7-15-11-16/h12-15,17H,1-11H2
InChIKeyGQXDOPHIVTUDAQ-UHFFFAOYSA-N
XLogP-2.04
TPSA71.59 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(1-Amino-2-fluoropropyl)-ethylamino]ethylamino]ethanol
CID 143969007
3,10-Bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane
CID 6394558
2-(1,4,8,11-Tetrazacyclotetradec-1-yl)ethanol
CID 12963739
2-[[1,3-Diamino-1-(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 19893042
Ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium
CID 20709166
[3-[2-Aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium
CID 21365728
3-[2-(2-Aminoethylamino)ethylamino]-3-(dimethylamino)propan-1-ol
CID 21881621
2-[1-(Dimethylamino)propylamino]ethanol
CID 22055171
2-[[3-Amino-1,1-bis(2-hydroxyethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 53890597
2-[3,3,3-Tris(methylamino)propylamino]ethanol
CID 54018520
2-[2,2-Bis[bis(2-hydroxyethyl)amino]ethylamino]ethanol
CID 54251496
2-[[3-(Dimethylamino)propylamino]methylamino]ethanol
CID 57086029

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol?
The IUPAC name of 2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol (CID 11081665) is 2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol.
What is the SMILES notation for 2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol?
The canonical SMILES for 2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol is OCCN1CNCCNCCCNCCNC1.
What is the InChIKey of 2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol?
The InChIKey is GQXDOPHIVTUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5O/c17-9-8-16-10-14-6-4-12-2-1-3-13-5-7-15-11-16/h12-15,17H,1-11H2.
What are the key properties of 2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol?
2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol has a molecular weight of 245.37 g/mol, XLogP of -2.04, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5,8,12-pentazacyclotetradec-3-yl)ethanol is sourced from PubChem (CID 11081665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).