1-methyl-9-azabicyclo[4.2.1]nonane

C9H17N — CID 15440314

IUPAC1-methyl-9-azabicyclo[4.2.1]nonane
SMILESCC12CCCCC(CC1)N2
InChIInChI=1S/C9H17N/c1-9-6-3-2-4-8(10-9)5-7-9/h8,10H,2-7H2,1H3
InChIKeyLDEFRYVKQWKSSJ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.07
Rot. Bonds

About 1-methyl-9-azabicyclo[4.2.1]nonane

1-methyl-9-azabicyclo[4.2.1]nonane (PubChem CID 15440314) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-methyl-9-azabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name1-methyl-9-azabicyclo[4.2.1]nonane
PubChem CID15440314
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-methyl-9-azabicyclo[4.2.1]nonane
SMILESCC12CCCCC(CC1)N2
InChIInChI=1S/C9H17N/c1-9-6-3-2-4-8(10-9)5-7-9/h8,10H,2-7H2,1H3
InChIKeyLDEFRYVKQWKSSJ-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-azabicyclo[4.2.1]nonane?
The IUPAC name of 1-methyl-9-azabicyclo[4.2.1]nonane (CID 15440314) is 1-methyl-9-azabicyclo[4.2.1]nonane.
What is the SMILES notation for 1-methyl-9-azabicyclo[4.2.1]nonane?
The canonical SMILES for 1-methyl-9-azabicyclo[4.2.1]nonane is CC12CCCCC(CC1)N2.
What is the InChIKey of 1-methyl-9-azabicyclo[4.2.1]nonane?
The InChIKey is LDEFRYVKQWKSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9-6-3-2-4-8(10-9)5-7-9/h8,10H,2-7H2,1H3.
What are the key properties of 1-methyl-9-azabicyclo[4.2.1]nonane?
1-methyl-9-azabicyclo[4.2.1]nonane has a molecular weight of 139.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-azabicyclo[4.2.1]nonane is sourced from PubChem (CID 15440314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).