7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane

C21H36N2 — CID 76844424

IUPAC7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane
SMILESCC1C(C)C2CC3C(C)C(C)C4CCCC(C5CCCC1N25)N43
InChIInChI=1S/C21H36N2/c1-12-14(3)20-11-21-15(4)13(2)17-8-6-10-19(23(17)21)18-9-5-7-16(12)22(18)20/h12-21H,5-11H2,1-4H3
InChIKeyYEVLKIVBDKJHCW-UHFFFAOYSA-N
MW316.53 g/mol
LogP4.15
Rot. Bonds

About 7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane

7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane (PubChem CID 76844424) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane.

Molecular Properties

Compound Name7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane
PubChem CID76844424
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane
SMILESCC1C(C)C2CC3C(C)C(C)C4CCCC(C5CCCC1N25)N43
InChIInChI=1S/C21H36N2/c1-12-14(3)20-11-21-15(4)13(2)17-8-6-10-19(23(17)21)18-9-5-7-16(12)22(18)20/h12-21H,5-11H2,1-4H3
InChIKeyYEVLKIVBDKJHCW-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane?
The IUPAC name of 7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane (CID 76844424) is 7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane.
What is the SMILES notation for 7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane?
The canonical SMILES for 7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane is CC1C(C)C2CC3C(C)C(C)C4CCCC(C5CCCC1N25)N43.
What is the InChIKey of 7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane?
The InChIKey is YEVLKIVBDKJHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2/c1-12-14(3)20-11-21-15(4)13(2)17-8-6-10-19(23(17)21)18-9-5-7-16(12)22(18)20/h12-21H,5-11H2,1-4H3.
What are the key properties of 7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane?
7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane has a molecular weight of 316.53 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,12,13-tetramethyl-18,19-diazapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane is sourced from PubChem (CID 76844424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).