N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine

C13H24N4 — CID 11009967

IUPACN'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine
SMILESCC(C)(C)N=C=NCCCN=C=NC(C)(C)C
InChIInChI=1S/C13H24N4/c1-12(2,3)16-10-14-8-7-9-15-11-17-13(4,5)6/h7-9H2,1-6H3
InChIKeyGWSNSZRNVVWEOL-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.32
Rot. Bonds4

About N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine

N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine (PubChem CID 11009967) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine.

Molecular Properties

Compound NameN'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine
PubChem CID11009967
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine
SMILESCC(C)(C)N=C=NCCCN=C=NC(C)(C)C
InChIInChI=1S/C13H24N4/c1-12(2,3)16-10-14-8-7-9-15-11-17-13(4,5)6/h7-9H2,1-6H3
InChIKeyGWSNSZRNVVWEOL-UHFFFAOYSA-N
XLogP3.32
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine?
The IUPAC name of N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine (CID 11009967) is N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine.
What is the SMILES notation for N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine?
The canonical SMILES for N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine is CC(C)(C)N=C=NCCCN=C=NC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine?
The InChIKey is GWSNSZRNVVWEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(2,3)16-10-14-8-7-9-15-11-17-13(4,5)6/h7-9H2,1-6H3.
What are the key properties of N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine?
N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine has a molecular weight of 236.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[3-(tert-butyliminomethylideneamino)propyl]methanediimine is sourced from PubChem (CID 11009967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).