1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine

C12H24N2 — CID 20688198

IUPAC1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine
SMILESCCC1CC(CC)CN(/C(C)=N/C)C1
InChIInChI=1S/C12H24N2/c1-5-11-7-12(6-2)9-14(8-11)10(3)13-4/h11-12H,5-9H2,1-4H3/b13-10+
InChIKeyAGQLQRWUNJXEPD-JLHYYAGUSA-N
MW196.34 g/mol
LogP2.79
Rot. Bonds2

About 1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine

1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine (PubChem CID 20688198) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine.

Molecular Properties

Compound Name1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine
PubChem CID20688198
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine
SMILESCCC1CC(CC)CN(/C(C)=N/C)C1
InChIInChI=1S/C12H24N2/c1-5-11-7-12(6-2)9-14(8-11)10(3)13-4/h11-12H,5-9H2,1-4H3/b13-10+
InChIKeyAGQLQRWUNJXEPD-JLHYYAGUSA-N
XLogP2.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
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 1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine?
The IUPAC name of 1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine (CID 20688198) is 1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine.
What is the SMILES notation for 1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine?
The canonical SMILES for 1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine is CCC1CC(CC)CN(/C(C)=N/C)C1.
What is the InChIKey of 1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine?
The InChIKey is AGQLQRWUNJXEPD-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-11-7-12(6-2)9-14(8-11)10(3)13-4/h11-12H,5-9H2,1-4H3/b13-10+.
What are the key properties of 1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine?
1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine has a molecular weight of 196.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethylpiperidin-1-yl)-N-methylethanimine is sourced from PubChem (CID 20688198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).