N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine

C16H32N2O — CID 58330422

IUPACN-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine
SMILESCCCCN=C1CC(C)(C)N(OCCC)C(C)(C)C1
InChIInChI=1S/C16H32N2O/c1-7-9-10-17-14-12-15(3,4)18(19-11-8-2)16(5,6)13-14/h7-13H2,1-6H3
InChIKeyWDVHVZVLCFOANF-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.22
Rot. Bonds6

About N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine

N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine (PubChem CID 58330422) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine.

Molecular Properties

Compound NameN-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine
PubChem CID58330422
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine
SMILESCCCCN=C1CC(C)(C)N(OCCC)C(C)(C)C1
InChIInChI=1S/C16H32N2O/c1-7-9-10-17-14-12-15(3,4)18(19-11-8-2)16(5,6)13-14/h7-13H2,1-6H3
InChIKeyWDVHVZVLCFOANF-UHFFFAOYSA-N
XLogP4.22
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine?
The IUPAC name of N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine (CID 58330422) is N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine.
What is the SMILES notation for N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine?
The canonical SMILES for N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine is CCCCN=C1CC(C)(C)N(OCCC)C(C)(C)C1.
What is the InChIKey of N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine?
The InChIKey is WDVHVZVLCFOANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-9-10-17-14-12-15(3,4)18(19-11-8-2)16(5,6)13-14/h7-13H2,1-6H3.
What are the key properties of N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine?
N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine has a molecular weight of 268.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,6,6-tetramethyl-1-propoxypiperidin-4-imine is sourced from PubChem (CID 58330422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).