[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine

C8H14N2 — CID 154939031

IUPAC[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine
SMILES[H]/N=C/[C@@H]1C[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C8H14N2/c1-10-7-2-3-8(10)6(4-7)5-9/h5-9H,2-4H2,1H3/b9-5+/t6-,7-,8+/m0/s1
InChIKeyNCLSGUPGCKMHLB-OZTQDWKNSA-N
MW138.21 g/mol
LogP1.12
Rot. Bonds1

About [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine

[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine (PubChem CID 154939031) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine.

Molecular Properties

Compound Name[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine
PubChem CID154939031
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine
SMILES[H]/N=C/[C@@H]1C[C@@H]2CC[C@H]1N2C
InChIInChI=1S/C8H14N2/c1-10-7-2-3-8(10)6(4-7)5-9/h5-9H,2-4H2,1H3/b9-5+/t6-,7-,8+/m0/s1
InChIKeyNCLSGUPGCKMHLB-OZTQDWKNSA-N
XLogP1.12
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.12
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 [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine?
The IUPAC name of [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine (CID 154939031) is [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine.
What is the SMILES notation for [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine?
The canonical SMILES for [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine is [H]/N=C/[C@@H]1C[C@@H]2CC[C@H]1N2C.
What is the InChIKey of [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine?
The InChIKey is NCLSGUPGCKMHLB-OZTQDWKNSA-N. The full InChI is InChI=1S/C8H14N2/c1-10-7-2-3-8(10)6(4-7)5-9/h5-9H,2-4H2,1H3/b9-5+/t6-,7-,8+/m0/s1.
What are the key properties of [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine?
[(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine has a molecular weight of 138.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methanimine is sourced from PubChem (CID 154939031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).