2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol

C17H38N4O3 — CID 70808244

IUPAC2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
SMILESOCCN1CCCNCCCN(CCO)CCN(CCO)CCC1
InChIInChI=1S/C17H38N4O3/c22-15-12-19-6-1-4-18-5-2-7-20(13-16-23)10-11-21(14-17-24)9-3-8-19/h18,22-24H,1-17H2
InChIKeyHCMZUYFWNSSKHP-UHFFFAOYSA-N
MW346.52 g/mol
LogP-1.36
Rot. Bonds6

About 2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol

2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol (PubChem CID 70808244) has the molecular formula C17H38N4O3 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol.

Molecular Properties

Compound Name2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
PubChem CID70808244
Molecular FormulaC17H38N4O3
Molecular Weight346.52 g/mol
Exact Mass346.29
IUPAC Name2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
SMILESOCCN1CCCNCCCN(CCO)CCN(CCO)CCC1
InChIInChI=1S/C17H38N4O3/c22-15-12-19-6-1-4-18-5-2-7-20(13-16-23)10-11-21(14-17-24)9-3-8-19/h18,22-24H,1-17H2
InChIKeyHCMZUYFWNSSKHP-UHFFFAOYSA-N
XLogP-1.36
TPSA82.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,5,9-triazacyclododec-1-yl)ethanol
CID 11143375
2-(1,4-diazepan-1-yl)ethanol
CID 2736550
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
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
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-[4-(2-fluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 80695797

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol?
The IUPAC name of 2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol (CID 70808244) is 2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol.
What is the SMILES notation for 2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol?
The canonical SMILES for 2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol is OCCN1CCCNCCCN(CCO)CCN(CCO)CCC1.
What is the InChIKey of 2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol?
The InChIKey is HCMZUYFWNSSKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N4O3/c22-15-12-19-6-1-4-18-5-2-7-20(13-16-23)10-11-21(14-17-24)9-3-8-19/h18,22-24H,1-17H2.
What are the key properties of 2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol?
2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol has a molecular weight of 346.52 g/mol, XLogP of -1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol is sourced from PubChem (CID 70808244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).