2,4,5-tritert-butyl-N-methylpyrrol-3-imine

C17H30N2 — CID 14644662

IUPAC2,4,5-tritert-butyl-N-methylpyrrol-3-imine
SMILESC/N=C1\C(C(C)(C)C)=NC(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C17H30N2/c1-15(2,3)11-12(18-10)14(17(7,8)9)19-13(11)16(4,5)6/h1-10H3/b18-12-
InChIKeyTVXHUBYGIFBVHM-PDGQHHTCSA-N
MW262.44 g/mol
LogP4.90
Rot. Bonds

About 2,4,5-tritert-butyl-N-methylpyrrol-3-imine

2,4,5-tritert-butyl-N-methylpyrrol-3-imine (PubChem CID 14644662) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,4,5-tritert-butyl-N-methylpyrrol-3-imine.

Molecular Properties

Compound Name2,4,5-tritert-butyl-N-methylpyrrol-3-imine
PubChem CID14644662
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2,4,5-tritert-butyl-N-methylpyrrol-3-imine
SMILESC/N=C1\C(C(C)(C)C)=NC(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C17H30N2/c1-15(2,3)11-12(18-10)14(17(7,8)9)19-13(11)16(4,5)6/h1-10H3/b18-12-
InChIKeyTVXHUBYGIFBVHM-PDGQHHTCSA-N
XLogP4.90
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tri-tert-butylazete
CID 13661469
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
4,5-ditert-butyl-2-methyl-3H-pyrrole
CID 59636879
4-tert-butyl-2,5-dimethyl-3H-pyrrole
CID 129134131
4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole
CID 146956504
N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine
CID 155056646
4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole;methane
CID 160223497
5-Tert-butyl-2,6-dimethyl-3,4-dihydropyridine
CID 167187178
N-(3,3-dimethylbut-1-en-2-yl)-2,2-dimethyl-1-(2-methylcyclopenten-1-yl)propan-1-imine
CID 167252809
4-tert-butyl-2,5-di(propan-2-yl)-3H-pyrrole
CID 170364646
2,4,5-tritert-butyl-N-cyclohexylpyrrol-3-imine
CID 14644663
N,2,4,5-tetratert-butylpyrrol-3-imine
CID 14644664

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tritert-butyl-N-methylpyrrol-3-imine?
The IUPAC name of 2,4,5-tritert-butyl-N-methylpyrrol-3-imine (CID 14644662) is 2,4,5-tritert-butyl-N-methylpyrrol-3-imine.
What is the SMILES notation for 2,4,5-tritert-butyl-N-methylpyrrol-3-imine?
The canonical SMILES for 2,4,5-tritert-butyl-N-methylpyrrol-3-imine is C/N=C1\C(C(C)(C)C)=NC(C(C)(C)C)=C1C(C)(C)C.
What is the InChIKey of 2,4,5-tritert-butyl-N-methylpyrrol-3-imine?
The InChIKey is TVXHUBYGIFBVHM-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H30N2/c1-15(2,3)11-12(18-10)14(17(7,8)9)19-13(11)16(4,5)6/h1-10H3/b18-12-.
What are the key properties of 2,4,5-tritert-butyl-N-methylpyrrol-3-imine?
2,4,5-tritert-butyl-N-methylpyrrol-3-imine has a molecular weight of 262.44 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tritert-butyl-N-methylpyrrol-3-imine is sourced from PubChem (CID 14644662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).