N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine

C11H22N2 — CID 18712740

IUPACN-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine
SMILESC=NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C11H22N2/c1-10(2)7-9(12-5)8-11(3,4)13(10)6/h9H,5,7-8H2,1-4,6H3
InChIKeyXPNUYYJDYFVOOE-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.34
Rot. Bonds1

About N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine

N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine (PubChem CID 18712740) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine.

Molecular Properties

Compound NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine
PubChem CID18712740
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine
SMILESC=NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C11H22N2/c1-10(2)7-9(12-5)8-11(3,4)13(10)6/h9H,5,7-8H2,1-4,6H3
InChIKeyXPNUYYJDYFVOOE-UHFFFAOYSA-N
XLogP2.34
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine?
The IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine (CID 18712740) is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine.
What is the SMILES notation for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine?
The canonical SMILES for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine is C=NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine?
The InChIKey is XPNUYYJDYFVOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)7-9(12-5)8-11(3,4)13(10)6/h9H,5,7-8H2,1-4,6H3.
What are the key properties of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine?
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine has a molecular weight of 182.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)methanimine is sourced from PubChem (CID 18712740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).