N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine

C30H56N4 — CID 158738502

IUPACN,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine
SMILESCC(C)(C)/N=C1\CCCCN1C(C)(C)C.Cc1c(C)c(C)n(C(C)(C)C)/c(=N/C(C)(C)C)c1C
InChIInChI=1S/C17H30N2.C13H26N2/c1-11-12(2)14(4)19(17(8,9)10)15(13(11)3)18-16(5,6)7;1-12(2,3)14-11-9-7-8-10-15(11)13(4,5)6/h1-10H3;7-10H2,1-6H3/b18-15+;14-11+
InChIKeyILZGYNWWAJCYHE-KEFYEHKMSA-N
MW472.81 g/mol
LogP7.64
Rot. Bonds

About N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine

N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine (PubChem CID 158738502) has the molecular formula C30H56N4 and a molecular weight of 472.81 g/mol. Its IUPAC name is N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine.

Molecular Properties

Compound NameN,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine
PubChem CID158738502
Molecular FormulaC30H56N4
Molecular Weight472.81 g/mol
Exact Mass472.45
IUPAC NameN,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine
SMILESCC(C)(C)/N=C1\CCCCN1C(C)(C)C.Cc1c(C)c(C)n(C(C)(C)C)/c(=N/C(C)(C)C)c1C
InChIInChI=1S/C17H30N2.C13H26N2/c1-11-12(2)14(4)19(17(8,9)10)15(13(11)3)18-16(5,6)7;1-12(2,3)14-11-9-7-8-10-15(11)13(4,5)6/h1-10H3;7-10H2,1-6H3/b18-15+;14-11+
InChIKeyILZGYNWWAJCYHE-KEFYEHKMSA-N
XLogP7.64
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.81
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine
CID 67796859
2-Methyl-4-methylidene-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine
CID 143526264

Frequently Asked Questions

What is the IUPAC name of N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine?
The IUPAC name of N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine (CID 158738502) is N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine.
What is the SMILES notation for N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine?
The canonical SMILES for N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine is CC(C)(C)/N=C1\CCCCN1C(C)(C)C.Cc1c(C)c(C)n(C(C)(C)C)/c(=N/C(C)(C)C)c1C.
What is the InChIKey of N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine?
The InChIKey is ILZGYNWWAJCYHE-KEFYEHKMSA-N. The full InChI is InChI=1S/C17H30N2.C13H26N2/c1-11-12(2)14(4)19(17(8,9)10)15(13(11)3)18-16(5,6)7;1-12(2,3)14-11-9-7-8-10-15(11)13(4,5)6/h1-10H3;7-10H2,1-6H3/b18-15+;14-11+.
What are the key properties of N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine?
N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine has a molecular weight of 472.81 g/mol, XLogP of 7.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-ditert-butylpiperidin-2-imine;N,1-ditert-butyl-3,4,5,6-tetramethylpyridin-2-imine is sourced from PubChem (CID 158738502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).