8-methyl-8-azabicyclo[3.2.1]octan-3-imine

C8H14N2 — CID 100950538

IUPAC8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILES[H]N=C1CC2CCC(C1)N2C
InChIInChI=1S/C8H14N2/c1-10-7-2-3-8(10)5-6(9)4-7/h7-9H,2-5H2,1H3
InChIKeyBMHSPLRQAUHTGE-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.26
Rot. Bonds

About 8-methyl-8-azabicyclo[3.2.1]octan-3-imine

8-methyl-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 100950538) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID100950538
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name8-methyl-8-azabicyclo[3.2.1]octan-3-imine
SMILES[H]N=C1CC2CCC(C1)N2C
InChIInChI=1S/C8H14N2/c1-10-7-2-3-8(10)5-6(9)4-7/h7-9H,2-5H2,1H3
InChIKeyBMHSPLRQAUHTGE-UHFFFAOYSA-N
XLogP1.26
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
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 8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octan-3-imine (CID 100950538) is 8-methyl-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]octan-3-imine is [H]N=C1CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is BMHSPLRQAUHTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-10-7-2-3-8(10)5-6(9)4-7/h7-9H,2-5H2,1H3.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]octan-3-imine?
8-methyl-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 138.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 100950538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).