8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane

C21H36N4 — CID 123934434

IUPAC8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane
SMILESCC1(C)C2CCNC3C4NCCC5C4N(C32)C2C1CNCC2C5(C)C
InChIInChI=1S/C21H36N4/c1-20(2)11-5-7-23-15-16-19-12(6-8-24-16)21(3,4)14-10-22-9-13(20)17(14)25(19)18(11)15/h11-19,22-24H,5-10H2,1-4H3
InChIKeyAAWRDBHPGCUOGT-UHFFFAOYSA-N
MW344.55 g/mol
LogP1.28
Rot. Bonds

About 8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane

8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane (PubChem CID 123934434) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane
PubChem CID123934434
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC Name8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane
SMILESCC1(C)C2CCNC3C4NCCC5C4N(C32)C2C1CNCC2C5(C)C
InChIInChI=1S/C21H36N4/c1-20(2)11-5-7-23-15-16-19-12(6-8-24-16)21(3,4)14-10-22-9-13(20)17(14)25(19)18(11)15/h11-19,22-24H,5-10H2,1-4H3
InChIKeyAAWRDBHPGCUOGT-UHFFFAOYSA-N
XLogP1.28
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

13,13-Dimethyl-1,4,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123146881
13,13-Dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123223208
13,13-Dimethyl-1,6,17-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123240796
13,13-Dimethyl-1,5,10,16,18-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123265399
13,13-Dimethyl-1,4,11,16-tetrazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123343641
13,13-Dimethyl-1,4,11,18-tetrazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123345118
13,13-Dimethyl-1,3,9,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123357237
13,13-Dibutyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123404956
13,13-Dimethyl-1,6,9,16-tetrazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123429941
13,13-Dimethyl-1,5,16-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123447330
8,8,14,14-Tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane
CID 123508649
13,13-Dimethyl-1,3,15,17-tetrazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
CID 123518942

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane?
The IUPAC name of 8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane (CID 123934434) is 8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane.
What is the SMILES notation for 8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane?
The canonical SMILES for 8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane is CC1(C)C2CCNC3C4NCCC5C4N(C32)C2C1CNCC2C5(C)C.
What is the InChIKey of 8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane?
The InChIKey is AAWRDBHPGCUOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4/c1-20(2)11-5-7-23-15-16-19-12(6-8-24-16)21(3,4)14-10-22-9-13(20)17(14)25(19)18(11)15/h11-19,22-24H,5-10H2,1-4H3.
What are the key properties of 8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane?
8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane has a molecular weight of 344.55 g/mol, XLogP of 1.28, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14,14-tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane is sourced from PubChem (CID 123934434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).