9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

C15H24N2O — CID 65471793

IUPAC9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ccc(CNC2CC3CCCC(C2)N3C)o1
InChIInChI=1S/C15H24N2O/c1-11-6-7-15(18-11)10-16-12-8-13-4-3-5-14(9-12)17(13)2/h6-7,12-14,16H,3-5,8-10H2,1-2H3
InChIKeyRHTNAROWFHUAPJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.69
Rot. Bonds3

About 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65471793) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65471793
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1ccc(CNC2CC3CCCC(C2)N3C)o1
InChIInChI=1S/C15H24N2O/c1-11-6-7-15(18-11)10-16-12-8-13-4-3-5-14(9-12)17(13)2/h6-7,12-14,16H,3-5,8-10H2,1-2H3
InChIKeyRHTNAROWFHUAPJ-UHFFFAOYSA-N
XLogP2.69
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 65471793) is 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is Cc1ccc(CNC2CC3CCCC(C2)N3C)o1.
What is the InChIKey of 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is RHTNAROWFHUAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-6-7-15(18-11)10-16-12-8-13-4-3-5-14(9-12)17(13)2/h6-7,12-14,16H,3-5,8-10H2,1-2H3.
What are the key properties of 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[(5-methylfuran-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65471793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).