ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine

C11H24N2 — CID 143148353

IUPACethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine
SMILESC.CC.[H]/N=C/N1CCCC(C)C1=C
InChIInChI=1S/C8H14N2.C2H6.CH4/c1-7-4-3-5-10(6-9)8(7)2;1-2;/h6-7,9H,2-5H2,1H3;1-2H3;1H4/b9-6+;;
InChIKeyQGUMCCDIXXTULB-SWSRPJROSA-N
MW184.33 g/mol
LogP3.50
Rot. Bonds1

About ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine

ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine (PubChem CID 143148353) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine.

Molecular Properties

Compound Nameethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine
PubChem CID143148353
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine
SMILESC.CC.[H]/N=C/N1CCCC(C)C1=C
InChIInChI=1S/C8H14N2.C2H6.CH4/c1-7-4-3-5-10(6-9)8(7)2;1-2;/h6-7,9H,2-5H2,1H3;1-2H3;1H4/b9-6+;;
InChIKeyQGUMCCDIXXTULB-SWSRPJROSA-N
XLogP3.50
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine?
The IUPAC name of ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine (CID 143148353) is ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine.
What is the SMILES notation for ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine?
The canonical SMILES for ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine is C.CC.[H]/N=C/N1CCCC(C)C1=C.
What is the InChIKey of ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine?
The InChIKey is QGUMCCDIXXTULB-SWSRPJROSA-N. The full InChI is InChI=1S/C8H14N2.C2H6.CH4/c1-7-4-3-5-10(6-9)8(7)2;1-2;/h6-7,9H,2-5H2,1H3;1-2H3;1H4/b9-6+;;.
What are the key properties of ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine?
ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine has a molecular weight of 184.33 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(3-methyl-2-methylidenepiperidin-1-yl)methanimine is sourced from PubChem (CID 143148353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).