1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane

C10H20N2 — CID 2868122

IUPAC1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC2(C)CNCC(C)(C1)C2
InChIInChI=1S/C10H20N2/c1-9-4-10(2,6-11-5-9)8-12(3)7-9/h11H,4-8H2,1-3H3
InChIKeyMABDHNXQYBSZCB-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.94
Rot. Bonds

About 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane

1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 2868122) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID2868122
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCN1CC2(C)CNCC(C)(C1)C2
InChIInChI=1S/C10H20N2/c1-9-4-10(2,6-11-5-9)8-12(3)7-9/h11H,4-8H2,1-3H3
InChIKeyMABDHNXQYBSZCB-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane (CID 2868122) is 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane is CN1CC2(C)CNCC(C)(C1)C2.
What is the InChIKey of 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is MABDHNXQYBSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9-4-10(2,6-11-5-9)8-12(3)7-9/h11H,4-8H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane?
1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 168.28 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 2868122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).