1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane

C11H20N2 — CID 144812611

IUPAC1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane
SMILESCN1CCC2CCN3CC(C)(C1)C23
InChIInChI=1S/C11H20N2/c1-11-7-12(2)5-3-9-4-6-13(8-11)10(9)11/h9-10H,3-8H2,1-2H3
InChIKeyXDMOYJVMPKUVEN-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.03
Rot. Bonds

About 1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane

1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane (PubChem CID 144812611) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane.

Molecular Properties

Compound Name1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane
PubChem CID144812611
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane
SMILESCN1CCC2CCN3CC(C)(C1)C23
InChIInChI=1S/C11H20N2/c1-11-7-12(2)5-3-9-4-6-13(8-11)10(9)11/h9-10H,3-8H2,1-2H3
InChIKeyXDMOYJVMPKUVEN-UHFFFAOYSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane?
The IUPAC name of 1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane (CID 144812611) is 1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane.
What is the SMILES notation for 1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane?
The canonical SMILES for 1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane is CN1CCC2CCN3CC(C)(C1)C23.
What is the InChIKey of 1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane?
The InChIKey is XDMOYJVMPKUVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-11-7-12(2)5-3-9-4-6-13(8-11)10(9)11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane?
1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane has a molecular weight of 180.29 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-3,9-diazatricyclo[4.4.1.03,11]undecane is sourced from PubChem (CID 144812611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).