2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol

C10H24N4O — CID 12963738

IUPAC2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
SMILESOCCN1CCNCCNCCNCC1
InChIInChI=1S/C10H24N4O/c15-10-9-14-7-5-12-3-1-11-2-4-13-6-8-14/h11-13,15H,1-10H2
InChIKeyJJSCEKWIMSHVPZ-UHFFFAOYSA-N
MW216.33 g/mol
LogP-1.94
Rot. Bonds2

About 2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol

2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol (PubChem CID 12963738) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol.

Molecular Properties

Compound Name2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
PubChem CID12963738
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
SMILESOCCN1CCNCCNCCNCC1
InChIInChI=1S/C10H24N4O/c15-10-9-14-7-5-12-3-1-11-2-4-13-6-8-14/h11-13,15H,1-10H2
InChIKeyJJSCEKWIMSHVPZ-UHFFFAOYSA-N
XLogP-1.94
TPSA59.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperazin-1-ylethanol;dihydrochloride
CID 21254470
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
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-(1,5,9-triazacyclododec-1-yl)ethanol
CID 11143375
3-piperazin-1-ylpropan-1-ol;dihydrochloride
CID 22460998
2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
CID 70808244
2-morpholin-4-ylethanol;2-piperazin-1-ylethanol;2-piperidin-1-ylethanol;2-pyrrolidin-1-ylethanol
CID 157451778
2-(4-deuteriopiperazin-1-yl)ethanol
CID 175688387
3-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-2-methylpropan-1-ol
CID 123836959

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol?
The IUPAC name of 2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol (CID 12963738) is 2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol.
What is the SMILES notation for 2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol?
The canonical SMILES for 2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol is OCCN1CCNCCNCCNCC1.
What is the InChIKey of 2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol?
The InChIKey is JJSCEKWIMSHVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c15-10-9-14-7-5-12-3-1-11-2-4-13-6-8-14/h11-13,15H,1-10H2.
What are the key properties of 2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol?
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol has a molecular weight of 216.33 g/mol, XLogP of -1.94, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol is sourced from PubChem (CID 12963738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).