1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane

C16H36N4 — CID 23524472

IUPAC1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane
SMILESCCN1CCN(CC)CCN(CC)CCN(CC)CC1
InChIInChI=1S/C16H36N4/c1-5-17-9-11-18(6-2)13-15-20(8-4)16-14-19(7-3)12-10-17/h5-16H2,1-4H3
InChIKeyIQABYBKTJALPMA-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.29
Rot. Bonds4

About 1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane

1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane (PubChem CID 23524472) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane.

Molecular Properties

Compound Name1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane
PubChem CID23524472
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane
SMILESCCN1CCN(CC)CCN(CC)CCN(CC)CC1
InChIInChI=1S/C16H36N4/c1-5-17-9-11-18(6-2)13-15-20(8-4)16-14-19(7-3)12-10-17/h5-16H2,1-4H3
InChIKeyIQABYBKTJALPMA-UHFFFAOYSA-N
XLogP1.29
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 18196
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CID 76509
Azamethonium Bromide
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CID 32367
N,N'-diethyl-N,N'-dimethylethylenediamine
CID 66942
1,2-Ethanediamine, N1,N1-diethyl-N2,N2-dimethyl-
CID 67153
Tris(2-(dimethylamino)ethyl)amine
CID 263094
1,2-Ethanediamine, N1,N1,N2,N2-tetraethyl-
CID 67423
N1,N1,N2-Tributyl-N2-(2-(dibutylamino)ethyl)-1,2-ethanediamine
CID 99361
1,4,8,11-Tetraazacyclotetradecane, 1,4,8,11-tetramethyl-
CID 123502
1,4,7,10,13,16-Hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane
CID 4437228
Triethylamine, 2,2',2''-tris(diethylamino)-, trihydrochloride
CID 115973

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane?
The IUPAC name of 1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane (CID 23524472) is 1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane.
What is the SMILES notation for 1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane?
The canonical SMILES for 1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane is CCN1CCN(CC)CCN(CC)CCN(CC)CC1.
What is the InChIKey of 1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane?
The InChIKey is IQABYBKTJALPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-5-17-9-11-18(6-2)13-15-20(8-4)16-14-19(7-3)12-10-17/h5-16H2,1-4H3.
What are the key properties of 1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane?
1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane has a molecular weight of 284.49 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetraethyl-1,4,7,10-tetrazacyclododecane is sourced from PubChem (CID 23524472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).