1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane

C16H36N4 — CID 67516267

IUPAC1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane
SMILESCN1CCCNCCNCCCN(C)C(C)(C)C1(C)C
InChIInChI=1S/C16H36N4/c1-15(2)16(3,4)20(6)14-8-10-18-12-11-17-9-7-13-19(15)5/h17-18H,7-14H2,1-6H3
InChIKeyHJMPLWJZJSBDDQ-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.38
Rot. Bonds

About 1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane

1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane (PubChem CID 67516267) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Name1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane
PubChem CID67516267
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane
SMILESCN1CCCNCCNCCCN(C)C(C)(C)C1(C)C
InChIInChI=1S/C16H36N4/c1-15(2)16(3,4)20(6)14-8-10-18-12-11-17-9-7-13-19(15)5/h17-18H,7-14H2,1-6H3
InChIKeyHJMPLWJZJSBDDQ-UHFFFAOYSA-N
XLogP1.38
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of 1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane (CID 67516267) is 1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for 1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for 1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane is CN1CCCNCCNCCCN(C)C(C)(C)C1(C)C.
What is the InChIKey of 1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane?
The InChIKey is HJMPLWJZJSBDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-15(2)16(3,4)20(6)14-8-10-18-12-11-17-9-7-13-19(15)5/h17-18H,7-14H2,1-6H3.
What are the key properties of 1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane?
1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane has a molecular weight of 284.49 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4-hexamethyl-1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 67516267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).