5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane

C14H32N4 — CID 13328161

IUPAC5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane
SMILESCC1CC(C)NCCNC(C)CC(C)NCCN1
InChIInChI=1S/C14H32N4/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15-11/h11-18H,5-10H2,1-4H3
InChIKeyBYCJOZGALLHAHI-UHFFFAOYSA-N
MW256.44 g/mol
LogP0.69
Rot. Bonds

About 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane

5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane (PubChem CID 13328161) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Name5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane
PubChem CID13328161
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane
SMILESCC1CC(C)NCCNC(C)CC(C)NCCN1
InChIInChI=1S/C14H32N4/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15-11/h11-18H,5-10H2,1-4H3
InChIKeyBYCJOZGALLHAHI-UHFFFAOYSA-N
XLogP0.69
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane (CID 13328161) is 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane is CC1CC(C)NCCNC(C)CC(C)NCCN1.
What is the InChIKey of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane?
The InChIKey is BYCJOZGALLHAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15-11/h11-18H,5-10H2,1-4H3.
What are the key properties of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane?
5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane has a molecular weight of 256.44 g/mol, XLogP of 0.69, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 13328161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).