2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol

C14H32N4O3 — CID 70808226

IUPAC2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
SMILESOCCN1CCNCCN(CCO)CCN(CCO)CC1
InChIInChI=1S/C14H32N4O3/c19-12-9-16-3-1-15-2-4-17(10-13-20)6-8-18(7-5-16)11-14-21/h15,19-21H,1-14H2
InChIKeyXILLOIWJZLNVOC-UHFFFAOYSA-N
MW304.44 g/mol
LogP-2.53
Rot. Bonds6

About 2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol

2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol (PubChem CID 70808226) has the molecular formula C14H32N4O3 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol.

Molecular Properties

Compound Name2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
PubChem CID70808226
Molecular FormulaC14H32N4O3
Molecular Weight304.44 g/mol
Exact Mass304.25
IUPAC Name2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
SMILESOCCN1CCNCCN(CCO)CCN(CCO)CC1
InChIInChI=1S/C14H32N4O3/c19-12-9-16-3-1-15-2-4-17(10-13-20)6-8-18(7-5-16)11-14-21/h15,19-21H,1-14H2
InChIKeyXILLOIWJZLNVOC-UHFFFAOYSA-N
XLogP-2.53
TPSA82.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 5-2.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
azane;2-piperazin-1-ylethanol
CID 23318747
ethene;2-piperazin-1-ylethanol
CID 175244492
methanamine;2-piperazin-1-ylethanol
CID 142253011
2-(1,4-diazepan-1-yl)ethanol
CID 2736550
2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
CID 70808244
3-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-2-methylpropan-1-ol
CID 123836959
2-(1,5,9-triazacyclododec-1-yl)ethanol
CID 11143375
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-morpholin-4-ylethanol;2-piperazin-1-ylethanol;2-piperidin-1-ylethanol;2-pyrrolidin-1-ylethanol
CID 157451778

Frequently Asked Questions

What is the IUPAC name of 2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol?
The IUPAC name of 2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol (CID 70808226) is 2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol.
What is the SMILES notation for 2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol?
The canonical SMILES for 2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol is OCCN1CCNCCN(CCO)CCN(CCO)CC1.
What is the InChIKey of 2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol?
The InChIKey is XILLOIWJZLNVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O3/c19-12-9-16-3-1-15-2-4-17(10-13-20)6-8-18(7-5-16)11-14-21/h15,19-21H,1-14H2.
What are the key properties of 2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol?
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol has a molecular weight of 304.44 g/mol, XLogP of -2.53, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol is sourced from PubChem (CID 70808226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).