1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane

C26H56N4O4 — CID 10529041

IUPAC1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
SMILESCCOCCN1CCCN(CCOCC)CCN(CCOCC)CCCN(CCOCC)CC1
InChIInChI=1S/C26H56N4O4/c1-5-31-23-19-27-11-9-12-29(21-25-33-7-3)17-18-30(22-26-34-8-4)14-10-13-28(16-15-27)20-24-32-6-2/h5-26H2,1-4H3
InChIKeyHAKPNBUUSPWCPJ-UHFFFAOYSA-N
MW488.76 g/mol
LogP2.13
Rot. Bonds16

About 1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane

1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane (PubChem CID 10529041) has the molecular formula C26H56N4O4 and a molecular weight of 488.76 g/mol. Its IUPAC name is 1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Name1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
PubChem CID10529041
Molecular FormulaC26H56N4O4
Molecular Weight488.76 g/mol
Exact Mass488.43
IUPAC Name1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
SMILESCCOCCN1CCCN(CCOCC)CCN(CCOCC)CCCN(CCOCC)CC1
InChIInChI=1S/C26H56N4O4/c1-5-31-23-19-27-11-9-12-29(21-25-33-7-3)17-18-30(22-26-34-8-4)14-10-13-28(16-15-27)20-24-32-6-2/h5-26H2,1-4H3
InChIKeyHAKPNBUUSPWCPJ-UHFFFAOYSA-N
XLogP2.13
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.76
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)piperidine
CID 22622871
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine
CID 43457112
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
5-[4-(3-ethoxypropyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 65176193
ethane;1-(3-ethoxypropyl)pyrrolidine;methane;propane
CID 156885032
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
1-(2-ethoxyethyl)-4,4-dimethylpiperidine
CID 142902694
5-[4-(2-ethoxyethyl)piperazin-1-yl]pentanenitrile
CID 56778759
1-(5-ethoxypentyl)-4-methylpiperazine
CID 155702550
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
1-(2-ethoxyethyl)piperidin-4-one
CID 15410842

Frequently Asked Questions

What is the IUPAC name of 1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of 1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane (CID 10529041) is 1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for 1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for 1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane is CCOCCN1CCCN(CCOCC)CCN(CCOCC)CCCN(CCOCC)CC1.
What is the InChIKey of 1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane?
The InChIKey is HAKPNBUUSPWCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N4O4/c1-5-31-23-19-27-11-9-12-29(21-25-33-7-3)17-18-30(22-26-34-8-4)14-10-13-28(16-15-27)20-24-32-6-2/h5-26H2,1-4H3.
What are the key properties of 1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane?
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane has a molecular weight of 488.76 g/mol, XLogP of 2.13, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 10529041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).