1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine

C11H22N2 — CID 63178946

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CC(C)CC(C)C1
InChIInChI=1S/C11H22N2/c1-8(2)11(12)13-6-9(3)5-10(4)7-13/h8-10,12H,5-7H2,1-4H3/b12-11+
InChIKeyKEDONXBZINSIMS-VAWYXSNFSA-N
MW182.31 g/mol
LogP2.60
Rot. Bonds1

About 1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine

1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine (PubChem CID 63178946) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine
PubChem CID63178946
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CC(C)CC(C)C1
InChIInChI=1S/C11H22N2/c1-8(2)11(12)13-6-9(3)5-10(4)7-13/h8-10,12H,5-7H2,1-4H3/b12-11+
InChIKeyKEDONXBZINSIMS-VAWYXSNFSA-N
XLogP2.60
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.60
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 1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine (CID 63178946) is 1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine is [H]/N=C(\C(C)C)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine?
The InChIKey is KEDONXBZINSIMS-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)11(12)13-6-9(3)5-10(4)7-13/h8-10,12H,5-7H2,1-4H3/b12-11+.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine?
1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine has a molecular weight of 182.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 63178946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).