2-(1,5,9-triazacyclododec-1-yl)ethanol

C11H25N3O — CID 11143375

IUPAC2-(1,5,9-triazacyclododec-1-yl)ethanol
SMILESOCCN1CCCNCCCNCCC1
InChIInChI=1S/C11H25N3O/c15-11-10-14-8-2-6-12-4-1-5-13-7-3-9-14/h12-13,15H,1-11H2
InChIKeyDWIHNVJPNDIEAT-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.36
Rot. Bonds2

About 2-(1,5,9-triazacyclododec-1-yl)ethanol

2-(1,5,9-triazacyclododec-1-yl)ethanol (PubChem CID 11143375) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(1,5,9-triazacyclododec-1-yl)ethanol.

Molecular Properties

Compound Name2-(1,5,9-triazacyclododec-1-yl)ethanol
PubChem CID11143375
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-(1,5,9-triazacyclododec-1-yl)ethanol
SMILESOCCN1CCCNCCCNCCC1
InChIInChI=1S/C11H25N3O/c15-11-10-14-8-2-6-12-4-1-5-13-7-3-9-14/h12-13,15H,1-11H2
InChIKeyDWIHNVJPNDIEAT-UHFFFAOYSA-N
XLogP-0.36
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
CID 70808244
2-(1,4-diazepan-1-yl)ethanol
CID 2736550
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
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
octakis(hexadecane);2-[1-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-[4-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-1-yl]ethanol;2-[12-(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol;2-(1,4,8,12-tetrazacyclopentadec-1-yl)ethanol;2-(1,4,8,12-tetrazacyclopentadec-8-yl)ethanol
CID 159348371
2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;dodecakis(heptadecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol;2-[4,8,11-tris(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol
CID 158360300
2-[4,8-bis(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;octakis(dodecane);2-[4-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-[11-(2-hydroxyethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanol;2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol
CID 157087771
ethene;2-piperazin-1-ylethanol
CID 175244492
methanamine;2-piperazin-1-ylethanol
CID 142253011
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404

Frequently Asked Questions

What is the IUPAC name of 2-(1,5,9-triazacyclododec-1-yl)ethanol?
The IUPAC name of 2-(1,5,9-triazacyclododec-1-yl)ethanol (CID 11143375) is 2-(1,5,9-triazacyclododec-1-yl)ethanol.
What is the SMILES notation for 2-(1,5,9-triazacyclododec-1-yl)ethanol?
The canonical SMILES for 2-(1,5,9-triazacyclododec-1-yl)ethanol is OCCN1CCCNCCCNCCC1.
What is the InChIKey of 2-(1,5,9-triazacyclododec-1-yl)ethanol?
The InChIKey is DWIHNVJPNDIEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c15-11-10-14-8-2-6-12-4-1-5-13-7-3-9-14/h12-13,15H,1-11H2.
What are the key properties of 2-(1,5,9-triazacyclododec-1-yl)ethanol?
2-(1,5,9-triazacyclododec-1-yl)ethanol has a molecular weight of 215.34 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5,9-triazacyclododec-1-yl)ethanol is sourced from PubChem (CID 11143375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).