1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine

C14H28N2 — CID 63181974

IUPAC1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCC(CC)(CC)CC1)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-6-14(7-2)8-10-16(11-9-14)12(15)13(3,4)5/h15H,6-11H2,1-5H3/b15-12-
InChIKeyLNYDZXBBRNSEEV-QINSGFPZSA-N
MW224.39 g/mol
LogP3.91
Rot. Bonds2

About 1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine

1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine (PubChem CID 63181974) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine
PubChem CID63181974
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(\N1CCC(CC)(CC)CC1)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-6-14(7-2)8-10-16(11-9-14)12(15)13(3,4)5/h15H,6-11H2,1-5H3/b15-12-
InChIKeyLNYDZXBBRNSEEV-QINSGFPZSA-N
XLogP3.91
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.91
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-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine (CID 63181974) is 1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine is [H]/N=C(\N1CCC(CC)(CC)CC1)C(C)(C)C.
What is the InChIKey of 1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine?
The InChIKey is LNYDZXBBRNSEEV-QINSGFPZSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-14(7-2)8-10-16(11-9-14)12(15)13(3,4)5/h15H,6-11H2,1-5H3/b15-12-.
What are the key properties of 1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine?
1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine has a molecular weight of 224.39 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 63181974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).