N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine

C9H16N2 — CID 58528666

IUPACN,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN=C1CC2CCC(C1)N2C
InChIInChI=1S/C9H16N2/c1-10-7-5-8-3-4-9(6-7)11(8)2/h8-9H,3-6H2,1-2H3
InChIKeyQBCWPSBBVWREOH-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.31
Rot. Bonds

About N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine

N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 58528666) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound NameN,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID58528666
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN=C1CC2CCC(C1)N2C
InChIInChI=1S/C9H16N2/c1-10-7-5-8-3-4-9(6-7)11(8)2/h8-9H,3-6H2,1-2H3
InChIKeyQBCWPSBBVWREOH-UHFFFAOYSA-N
XLogP1.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine (CID 58528666) is N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine is CN=C1CC2CCC(C1)N2C.
What is the InChIKey of N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is QBCWPSBBVWREOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-7-5-8-3-4-9(6-7)11(8)2/h8-9H,3-6H2,1-2H3.
What are the key properties of N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine?
N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 152.24 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 58528666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).