9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

C13H22N4O — CID 107914691

IUPAC9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1nnc(CNC2CC3CCCC(C2)N3C)o1
InChIInChI=1S/C13H22N4O/c1-9-15-16-13(18-9)8-14-10-6-11-4-3-5-12(7-10)17(11)2/h10-12,14H,3-8H2,1-2H3
InChIKeyDAAFQGJYALYGDX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.48
Rot. Bonds3

About 9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine

9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 107914691) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID107914691
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCc1nnc(CNC2CC3CCCC(C2)N3C)o1
InChIInChI=1S/C13H22N4O/c1-9-15-16-13(18-9)8-14-10-6-11-4-3-5-12(7-10)17(11)2/h10-12,14H,3-8H2,1-2H3
InChIKeyDAAFQGJYALYGDX-UHFFFAOYSA-N
XLogP1.48
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine (CID 107914691) is 9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is Cc1nnc(CNC2CC3CCCC(C2)N3C)o1.
What is the InChIKey of 9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is DAAFQGJYALYGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-15-16-13(18-9)8-14-10-6-11-4-3-5-12(7-10)17(11)2/h10-12,14H,3-8H2,1-2H3.
What are the key properties of 9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine?
9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 107914691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).