1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane

C11H21N — CID 10125099

IUPAC1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane
SMILESCC1CC2(C)CCNC(C)(C1)C2
InChIInChI=1S/C11H21N/c1-9-6-10(2)4-5-12-11(3,7-9)8-10/h9,12H,4-8H2,1-3H3
InChIKeyYXTXAXLELOQLEI-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.56
Rot. Bonds

About 1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane

1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane (PubChem CID 10125099) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane
PubChem CID10125099
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane
SMILESCC1CC2(C)CCNC(C)(C1)C2
InChIInChI=1S/C11H21N/c1-9-6-10(2)4-5-12-11(3,7-9)8-10/h9,12H,4-8H2,1-3H3
InChIKeyYXTXAXLELOQLEI-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane?
The IUPAC name of 1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane (CID 10125099) is 1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane?
The canonical SMILES for 1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane is CC1CC2(C)CCNC(C)(C1)C2.
What is the InChIKey of 1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane?
The InChIKey is YXTXAXLELOQLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9-6-10(2)4-5-12-11(3,7-9)8-10/h9,12H,4-8H2,1-3H3.
What are the key properties of 1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane?
1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane has a molecular weight of 167.30 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-2-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 10125099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).