2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol

C12H28N4O — CID 12963739

IUPAC2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol
SMILESOCCN1CCCNCCNCCCNCC1
InChIInChI=1S/C12H28N4O/c17-12-11-16-9-2-5-14-7-6-13-3-1-4-15-8-10-16/h13-15,17H,1-12H2
InChIKeyBZENGTLRGKDUDX-UHFFFAOYSA-N
MW244.38 g/mol
LogP-1.16
Rot. Bonds2

About 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol

2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol (PubChem CID 12963739) has the molecular formula C12H28N4O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol.

Molecular Properties

Compound Name2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol
PubChem CID12963739
Molecular FormulaC12H28N4O
Molecular Weight244.38 g/mol
Exact Mass244.23
IUPAC Name2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol
SMILESOCCN1CCCNCCNCCCNCC1
InChIInChI=1S/C12H28N4O/c17-12-11-16-9-2-5-14-7-6-13-3-1-4-15-8-10-16/h13-15,17H,1-12H2
InChIKeyBZENGTLRGKDUDX-UHFFFAOYSA-N
XLogP-1.16
TPSA59.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol?
The IUPAC name of 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol (CID 12963739) is 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol.
What is the SMILES notation for 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol?
The canonical SMILES for 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol is OCCN1CCCNCCNCCCNCC1.
What is the InChIKey of 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol?
The InChIKey is BZENGTLRGKDUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O/c17-12-11-16-9-2-5-14-7-6-13-3-1-4-15-8-10-16/h13-15,17H,1-12H2.
What are the key properties of 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol?
2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol has a molecular weight of 244.38 g/mol, XLogP of -1.16, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanol is sourced from PubChem (CID 12963739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).