2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine

C12H22N4 — CID 129059279

IUPAC2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine
SMILES[H]/N=C(/CC1CN=C(C)N1C)N1CCCCC1
InChIInChI=1S/C12H22N4/c1-10-14-9-11(15(10)2)8-12(13)16-6-4-3-5-7-16/h11,13H,3-9H2,1-2H3/b13-12-
InChIKeyNSVWUVHMXGUKDY-SEYXRHQNSA-N
MW222.34 g/mol
LogP1.57
Rot. Bonds2

About 2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine

2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine (PubChem CID 129059279) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine.

Molecular Properties

Compound Name2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine
PubChem CID129059279
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine
SMILES[H]/N=C(/CC1CN=C(C)N1C)N1CCCCC1
InChIInChI=1S/C12H22N4/c1-10-14-9-11(15(10)2)8-12(13)16-6-4-3-5-7-16/h11,13H,3-9H2,1-2H3/b13-12-
InChIKeyNSVWUVHMXGUKDY-SEYXRHQNSA-N
XLogP1.57
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine?
The IUPAC name of 2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine (CID 129059279) is 2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine.
What is the SMILES notation for 2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine?
The canonical SMILES for 2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine is [H]/N=C(/CC1CN=C(C)N1C)N1CCCCC1.
What is the InChIKey of 2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine?
The InChIKey is NSVWUVHMXGUKDY-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-14-9-11(15(10)2)8-12(13)16-6-4-3-5-7-16/h11,13H,3-9H2,1-2H3/b13-12-.
What are the key properties of 2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine?
2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine has a molecular weight of 222.34 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4,5-dihydroimidazol-4-yl)-1-piperidin-1-ylethanimine is sourced from PubChem (CID 129059279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).