8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane

C22H37N3 — CID 123508649

IUPAC8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane
SMILESCC1(C)C2CCCC3C4CNCC5C4N(C32)C2C1CNCC2C5(C)C
InChIInChI=1S/C22H37N3/c1-21(2)14-7-5-6-12-13-8-23-9-15-19(13)25(18(12)14)20-16(21)10-24-11-17(20)22(15,3)4/h12-20,23-24H,5-11H2,1-4H3
InChIKeyOMVWRQIKHZTPRK-UHFFFAOYSA-N
MW343.56 g/mol
LogP2.57
Rot. Bonds

About 8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane

8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane (PubChem CID 123508649) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane
PubChem CID123508649
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane
SMILESCC1(C)C2CCCC3C4CNCC5C4N(C32)C2C1CNCC2C5(C)C
InChIInChI=1S/C22H37N3/c1-21(2)14-7-5-6-12-13-8-23-9-15-19(13)25(18(12)14)20-16(21)10-24-11-17(20)22(15,3)4/h12-20,23-24H,5-11H2,1-4H3
InChIKeyOMVWRQIKHZTPRK-UHFFFAOYSA-N
XLogP2.57
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane?
The IUPAC name of 8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane (CID 123508649) is 8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane.
What is the SMILES notation for 8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane?
The canonical SMILES for 8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane is CC1(C)C2CCCC3C4CNCC5C4N(C32)C2C1CNCC2C5(C)C.
What is the InChIKey of 8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane?
The InChIKey is OMVWRQIKHZTPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3/c1-21(2)14-7-5-6-12-13-8-23-9-15-19(13)25(18(12)14)20-16(21)10-24-11-17(20)22(15,3)4/h12-20,23-24H,5-11H2,1-4H3.
What are the key properties of 8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane?
8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane has a molecular weight of 343.56 g/mol, XLogP of 2.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14,14-tetramethyl-1,5,11-triazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane is sourced from PubChem (CID 123508649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).