trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane

C16H36N4 — CID 7154578

IUPACtrans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
SMILESC[C@@H]1CC(C)(C)NCCN[C@H](C)CC(C)(C)NCCN1
InChIInChI=1S/C16H36N4/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13/h13-14,17-20H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyXHCNINMOALIGKM-ZIAGYGMSSA-N
MW284.49 g/mol
LogP1.47
Rot. Bonds

About trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane

trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane (PubChem CID 7154578) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Nametrans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
PubChem CID7154578
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Nametrans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
SMILESC[C@@H]1CC(C)(C)NCCN[C@H](C)CC(C)(C)NCCN1
InChIInChI=1S/C16H36N4/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13/h13-14,17-20H,7-12H2,1-6H3/t13-,14-/m1/s1
InChIKeyXHCNINMOALIGKM-ZIAGYGMSSA-N
XLogP1.47
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane (CID 7154578) is trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane is C[C@@H]1CC(C)(C)NCCN[C@H](C)CC(C)(C)NCCN1.
What is the InChIKey of trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane?
The InChIKey is XHCNINMOALIGKM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H36N4/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13/h13-14,17-20H,7-12H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane?
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane has a molecular weight of 284.49 g/mol, XLogP of 1.47, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 7154578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).