7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C15H25N3O — CID 79170538

IUPAC7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCN1C2CCC1CN(C(=O)C1CC3CCC1N3)CC2
InChIInChI=1S/C15H25N3O/c1-17-11-3-4-12(17)9-18(7-6-11)15(19)13-8-10-2-5-14(13)16-10/h10-14,16H,2-9H2,1H3
InChIKeyYJVHHRHAQLLZME-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.82
Rot. Bonds1

About 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 79170538) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID79170538
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCN1C2CCC1CN(C(=O)C1CC3CCC1N3)CC2
InChIInChI=1S/C15H25N3O/c1-17-11-3-4-12(17)9-18(7-6-11)15(19)13-8-10-2-5-14(13)16-10/h10-14,16H,2-9H2,1H3
InChIKeyYJVHHRHAQLLZME-UHFFFAOYSA-N
XLogP0.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone 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 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 79170538) is 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is CN1C2CCC1CN(C(=O)C1CC3CCC1N3)CC2.
What is the InChIKey of 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is YJVHHRHAQLLZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-11-3-4-12(17)9-18(7-6-11)15(19)13-8-10-2-5-14(13)16-10/h10-14,16H,2-9H2,1H3.
What are the key properties of 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[2.2.1]heptan-2-yl-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 79170538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).