2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane

C11H20N4 — CID 23116890

IUPAC2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane
SMILESCC1CN2CCN3CCN4CCN1C2C34
InChIInChI=1S/C11H20N4/c1-9-8-14-5-4-12-2-3-13-6-7-15(9)11(14)10(12)13/h9-11H,2-8H2,1H3
InChIKeyYUWCAIUZOPLMJM-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.71
Rot. Bonds

About 2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane

2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane (PubChem CID 23116890) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane.

Molecular Properties

Compound Name2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane
PubChem CID23116890
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane
SMILESCC1CN2CCN3CCN4CCN1C2C34
InChIInChI=1S/C11H20N4/c1-9-8-14-5-4-12-2-3-13-6-7-15(9)11(14)10(12)13/h9-11H,2-8H2,1H3
InChIKeyYUWCAIUZOPLMJM-UHFFFAOYSA-N
XLogP-0.71
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(16R,17S)-1,5,9,12-tetrazatetracyclo[7.6.2.05,17.012,16]heptadecane
CID 101135242
1,5,9,12-tetrazatetracyclo[7.6.2.05,16.012,17]heptadecane
CID 54122759
(2R)-2-methyl-4-(3-methylcyclobutyl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 177134539
3-methyl-2-(3-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926371
3-methyl-2-(2-methylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939100
(2,5-dimethyl-4-silylpiperazin-1-yl)silane
CID 123216940
(2R)-4-cyclobutyl-1,2-dimethylpiperazine
CID 145118927
(2S,5S)-5-methyl-1,4-diazabicyclo[2.2.2]octane-2-carboxylic acid
CID 124527081
1,2-dimethyl-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
CID 90720386
2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944940
1,2-dimethyl-4-(4-methylcyclohexyl)piperazine
CID 152789623
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclobutan-1-amine
CID 80561807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane?
The IUPAC name of 2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane (CID 23116890) is 2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane.
What is the SMILES notation for 2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane?
The canonical SMILES for 2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane is CC1CN2CCN3CCN4CCN1C2C34.
What is the InChIKey of 2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane?
The InChIKey is YUWCAIUZOPLMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-8-14-5-4-12-2-3-13-6-7-15(9)11(14)10(12)13/h9-11H,2-8H2,1H3.
What are the key properties of 2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane?
2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane has a molecular weight of 208.31 g/mol, XLogP of -0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecane is sourced from PubChem (CID 23116890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).