7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane

C17H33N3 — CID 177178858

IUPAC7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane
SMILESCC1CCN2CCN(CC2)CC2CCN(CC2)C(C)C1
InChIInChI=1S/C17H33N3/c1-15-3-6-18-9-11-19(12-10-18)14-17-4-7-20(8-5-17)16(2)13-15/h15-17H,3-14H2,1-2H3
InChIKeyHAWGRGLQBZFUOT-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.13
Rot. Bonds

About 7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane

7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane (PubChem CID 177178858) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane.

Molecular Properties

Compound Name7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane
PubChem CID177178858
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane
SMILESCC1CCN2CCN(CC2)CC2CCN(CC2)C(C)C1
InChIInChI=1S/C17H33N3/c1-15-3-6-18-9-11-19(12-10-18)14-17-4-7-20(8-5-17)16(2)13-15/h15-17H,3-14H2,1-2H3
InChIKeyHAWGRGLQBZFUOT-UHFFFAOYSA-N
XLogP2.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane?
The IUPAC name of 7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane (CID 177178858) is 7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane.
What is the SMILES notation for 7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane?
The canonical SMILES for 7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane is CC1CCN2CCN(CC2)CC2CCN(CC2)C(C)C1.
What is the InChIKey of 7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane?
The InChIKey is HAWGRGLQBZFUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-15-3-6-18-9-11-19(12-10-18)14-17-4-7-20(8-5-17)16(2)13-15/h15-17H,3-14H2,1-2H3.
What are the key properties of 7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane?
7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane has a molecular weight of 279.47 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane is sourced from PubChem (CID 177178858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).