N,2,4,5-tetratert-butylpyrrol-3-imine

C20H36N2 — CID 14644664

IUPACN,2,4,5-tetratert-butylpyrrol-3-imine
SMILESCC(C)(C)/N=C1\C(C(C)(C)C)=NC(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C20H36N2/c1-17(2,3)13-14(22-20(10,11)12)16(19(7,8)9)21-15(13)18(4,5)6/h1-12H3/b22-14-
InChIKeyLUMDRROFCFSNPB-HMAPJEAMSA-N
MW304.52 g/mol
LogP6.07
Rot. Bonds

About N,2,4,5-tetratert-butylpyrrol-3-imine

N,2,4,5-tetratert-butylpyrrol-3-imine (PubChem CID 14644664) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is N,2,4,5-tetratert-butylpyrrol-3-imine.

Molecular Properties

Compound NameN,2,4,5-tetratert-butylpyrrol-3-imine
PubChem CID14644664
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC NameN,2,4,5-tetratert-butylpyrrol-3-imine
SMILESCC(C)(C)/N=C1\C(C(C)(C)C)=NC(C(C)(C)C)=C1C(C)(C)C
InChIInChI=1S/C20H36N2/c1-17(2,3)13-14(22-20(10,11)12)16(19(7,8)9)21-15(13)18(4,5)6/h1-12H3/b22-14-
InChIKeyLUMDRROFCFSNPB-HMAPJEAMSA-N
XLogP6.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.07
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

2-[2,3-Dimethyl-4-(3,3,4,5-tetramethylpyrrol-2-yl)cyclopenta-1,3-dien-1-yl]-3,3,4,5-tetramethylpyrrole
CID 20681050
4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole
CID 146956504
4,5-ditert-butyl-2-(2-tritiopropan-2-yl)-3H-pyrrole;methane
CID 160223497
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-methylpyrrol-3-imine
CID 14644662
2,4,5-tritert-butyl-N-cyclohexylpyrrol-3-imine
CID 14644663
4,5-ditert-butyl-2-propyl-3H-pyrrole
CID 20773256
4-tert-butyl-2-ethyl-5-methyl-3H-pyrrole
CID 157256070
2,4-ditert-butyl-5-methyl-3H-pyrrole
CID 157514089

Frequently Asked Questions

What is the IUPAC name of N,2,4,5-tetratert-butylpyrrol-3-imine?
The IUPAC name of N,2,4,5-tetratert-butylpyrrol-3-imine (CID 14644664) is N,2,4,5-tetratert-butylpyrrol-3-imine.
What is the SMILES notation for N,2,4,5-tetratert-butylpyrrol-3-imine?
The canonical SMILES for N,2,4,5-tetratert-butylpyrrol-3-imine is CC(C)(C)/N=C1\C(C(C)(C)C)=NC(C(C)(C)C)=C1C(C)(C)C.
What is the InChIKey of N,2,4,5-tetratert-butylpyrrol-3-imine?
The InChIKey is LUMDRROFCFSNPB-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H36N2/c1-17(2,3)13-14(22-20(10,11)12)16(19(7,8)9)21-15(13)18(4,5)6/h1-12H3/b22-14-.
What are the key properties of N,2,4,5-tetratert-butylpyrrol-3-imine?
N,2,4,5-tetratert-butylpyrrol-3-imine has a molecular weight of 304.52 g/mol, XLogP of 6.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,5-tetratert-butylpyrrol-3-imine is sourced from PubChem (CID 14644664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).