N'-(2,3,3-trimethylbutan-2-yl)methanediimine

C8H16N2 — CID 87133368

IUPACN'-(2,3,3-trimethylbutan-2-yl)methanediimine
SMILESCC(C)(C)C(C)(C)N=C=N
InChIInChI=1S/C8H16N2/c1-7(2,3)8(4,5)10-6-9/h9H,1-5H3
InChIKeyWLNMPVADIPIZFP-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.56
Rot. Bonds1

About N'-(2,3,3-trimethylbutan-2-yl)methanediimine

N'-(2,3,3-trimethylbutan-2-yl)methanediimine (PubChem CID 87133368) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N'-(2,3,3-trimethylbutan-2-yl)methanediimine.

Molecular Properties

Compound NameN'-(2,3,3-trimethylbutan-2-yl)methanediimine
PubChem CID87133368
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN'-(2,3,3-trimethylbutan-2-yl)methanediimine
SMILESCC(C)(C)C(C)(C)N=C=N
InChIInChI=1S/C8H16N2/c1-7(2,3)8(4,5)10-6-9/h9H,1-5H3
InChIKeyWLNMPVADIPIZFP-UHFFFAOYSA-N
XLogP2.56
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3,3-trimethylbutan-2-yl)methanediimine?
The IUPAC name of N'-(2,3,3-trimethylbutan-2-yl)methanediimine (CID 87133368) is N'-(2,3,3-trimethylbutan-2-yl)methanediimine.
What is the SMILES notation for N'-(2,3,3-trimethylbutan-2-yl)methanediimine?
The canonical SMILES for N'-(2,3,3-trimethylbutan-2-yl)methanediimine is CC(C)(C)C(C)(C)N=C=N.
What is the InChIKey of N'-(2,3,3-trimethylbutan-2-yl)methanediimine?
The InChIKey is WLNMPVADIPIZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2,3)8(4,5)10-6-9/h9H,1-5H3.
What are the key properties of N'-(2,3,3-trimethylbutan-2-yl)methanediimine?
N'-(2,3,3-trimethylbutan-2-yl)methanediimine has a molecular weight of 140.23 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,3-trimethylbutan-2-yl)methanediimine is sourced from PubChem (CID 87133368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).