N-methyl-N'-(3-methylpentan-3-yl)methanediimine

C8H16N2 — CID 86598848

IUPACN-methyl-N'-(3-methylpentan-3-yl)methanediimine
SMILESCCC(C)(CC)N=C=NC
InChIInChI=1S/C8H16N2/c1-5-8(3,6-2)10-7-9-4/h5-6H2,1-4H3
InChIKeyGZIFWGUMXDRTKF-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-N'-(3-methylpentan-3-yl)methanediimine

N-methyl-N'-(3-methylpentan-3-yl)methanediimine (PubChem CID 86598848) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-N'-(3-methylpentan-3-yl)methanediimine.

Molecular Properties

Compound NameN-methyl-N'-(3-methylpentan-3-yl)methanediimine
PubChem CID86598848
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-N'-(3-methylpentan-3-yl)methanediimine
SMILESCCC(C)(CC)N=C=NC
InChIInChI=1S/C8H16N2/c1-5-8(3,6-2)10-7-9-4/h5-6H2,1-4H3
InChIKeyGZIFWGUMXDRTKF-UHFFFAOYSA-N
XLogP2.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
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-methyl-N'-(3-methylpentan-3-yl)methanediimine?
The IUPAC name of N-methyl-N'-(3-methylpentan-3-yl)methanediimine (CID 86598848) is N-methyl-N'-(3-methylpentan-3-yl)methanediimine.
What is the SMILES notation for N-methyl-N'-(3-methylpentan-3-yl)methanediimine?
The canonical SMILES for N-methyl-N'-(3-methylpentan-3-yl)methanediimine is CCC(C)(CC)N=C=NC.
What is the InChIKey of N-methyl-N'-(3-methylpentan-3-yl)methanediimine?
The InChIKey is GZIFWGUMXDRTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(3,6-2)10-7-9-4/h5-6H2,1-4H3.
What are the key properties of N-methyl-N'-(3-methylpentan-3-yl)methanediimine?
N-methyl-N'-(3-methylpentan-3-yl)methanediimine has a molecular weight of 140.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(3-methylpentan-3-yl)methanediimine is sourced from PubChem (CID 86598848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).