1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane

C20H44N4 — CID 91083918

IUPAC1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane
SMILESCC1CNC(C)(C)CC(C)N(C)C(C)CNC(C)(C)CC(C)N1C
InChIInChI=1S/C20H44N4/c1-15-11-19(5,6)21-14-18(4)24(10)16(2)12-20(7,8)22-13-17(3)23(15)9/h15-18,21-22H,11-14H2,1-10H3
InChIKeyAVIXOAHLLKKXLP-UHFFFAOYSA-N
MW340.60 g/mol
LogP2.93
Rot. Bonds

About 1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane

1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane (PubChem CID 91083918) has the molecular formula C20H44N4 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Name1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane
PubChem CID91083918
Molecular FormulaC20H44N4
Molecular Weight340.60 g/mol
Exact Mass340.36
IUPAC Name1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane
SMILESCC1CNC(C)(C)CC(C)N(C)C(C)CNC(C)(C)CC(C)N1C
InChIInChI=1S/C20H44N4/c1-15-11-19(5,6)21-14-18(4)24(10)16(2)12-20(7,8)22-13-17(3)23(15)9/h15-18,21-22H,11-14H2,1-10H3
InChIKeyAVIXOAHLLKKXLP-UHFFFAOYSA-N
XLogP2.93
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Ethanediamine, N,N'-bis(1,3-dimethylbutyl)-
CID 469907
5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 143337
N,N'-Bis(2,4,4-trimethyl-2-pentyl)-ethylenediamine
CID 223882
N,N'-bis[1-isopropyl-2-methylpropyl]ethylenediamine
CID 99554
Meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane
CID 7154580
5,5,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane
CID 19065732
2,5,5,7,9,12,12,14-Octamethyl-1,4,8,11-tetrazacyclotetradecane
CID 6396265
Hexamethyl hexacyclen
CID 20297396
Hexamethyl-1,4,8,11-tetraazacyclotetradecane
CID 67516267
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
5,7,12,14-Tetramethyl-1,4,8,11-tetraazacyclotetradecane
CID 13328161
5,7,12,14-Tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine
CID 15805944

Frequently Asked Questions

What is the IUPAC name of 1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of 1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane (CID 91083918) is 1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for 1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for 1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane is CC1CNC(C)(C)CC(C)N(C)C(C)CNC(C)(C)CC(C)N1C.
What is the InChIKey of 1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane?
The InChIKey is AVIXOAHLLKKXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N4/c1-15-11-19(5,6)21-14-18(4)24(10)16(2)12-20(7,8)22-13-17(3)23(15)9/h15-18,21-22H,11-14H2,1-10H3.
What are the key properties of 1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane?
1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane has a molecular weight of 340.60 g/mol, XLogP of 2.93, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,5,7,8,9,12,12,14-decamethyl-1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 91083918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).