cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine

C11H20N2O — CID 107395818

IUPACcyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCCC(C)(OC)C1
InChIInChI=1S/C11H20N2O/c1-11(14-2)6-3-7-13(8-11)10(12)9-4-5-9/h9,12H,3-8H2,1-2H3/b12-10+
InChIKeyIYFGATIJIYFGTA-ZRDIBKRKSA-N
MW196.29 g/mol
LogP1.87
Rot. Bonds2

About cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine

cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine (PubChem CID 107395818) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine.

Molecular Properties

Compound Namecyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine
PubChem CID107395818
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Namecyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine
SMILES[H]/N=C(\C1CC1)N1CCCC(C)(OC)C1
InChIInChI=1S/C11H20N2O/c1-11(14-2)6-3-7-13(8-11)10(12)9-4-5-9/h9,12H,3-8H2,1-2H3/b12-10+
InChIKeyIYFGATIJIYFGTA-ZRDIBKRKSA-N
XLogP1.87
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine?
The IUPAC name of cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine (CID 107395818) is cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine.
What is the SMILES notation for cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine?
The canonical SMILES for cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine is [H]/N=C(\C1CC1)N1CCCC(C)(OC)C1.
What is the InChIKey of cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine?
The InChIKey is IYFGATIJIYFGTA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(14-2)6-3-7-13(8-11)10(12)9-4-5-9/h9,12H,3-8H2,1-2H3/b12-10+.
What are the key properties of cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine?
cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine has a molecular weight of 196.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine is sourced from PubChem (CID 107395818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).