1-(4-tert-butylpiperidin-1-yl)ethanimine

C11H22N2 — CID 20718019

IUPAC1-(4-tert-butylpiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2/c1-9(12)13-7-5-10(6-8-13)11(2,3)4/h10,12H,5-8H2,1-4H3/b12-9+
InChIKeyYWJODQMHPPWWIN-FMIVXFBMSA-N
MW182.31 g/mol
LogP2.74
Rot. Bonds

About 1-(4-tert-butylpiperidin-1-yl)ethanimine

1-(4-tert-butylpiperidin-1-yl)ethanimine (PubChem CID 20718019) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)ethanimine
PubChem CID20718019
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(4-tert-butylpiperidin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2/c1-9(12)13-7-5-10(6-8-13)11(2,3)4/h10,12H,5-8H2,1-4H3/b12-9+
InChIKeyYWJODQMHPPWWIN-FMIVXFBMSA-N
XLogP2.74
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.74
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-tert-butylpiperidin-1-yl)ethanimine?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)ethanimine (CID 20718019) is 1-(4-tert-butylpiperidin-1-yl)ethanimine.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)ethanimine?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)ethanimine is [H]/N=C(\C)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)ethanimine?
The InChIKey is YWJODQMHPPWWIN-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(12)13-7-5-10(6-8-13)11(2,3)4/h10,12H,5-8H2,1-4H3/b12-9+.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)ethanimine?
1-(4-tert-butylpiperidin-1-yl)ethanimine has a molecular weight of 182.31 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)ethanimine is sourced from PubChem (CID 20718019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).