N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine

C14H28N2 — CID 89497259

IUPACN-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine
SMILESCC(C)(C)CC(C)(C)/N=C/C=N/C(C)(C)C
InChIInChI=1S/C14H28N2/c1-12(2,3)11-14(7,8)16-10-9-15-13(4,5)6/h9-10H,11H2,1-8H3/b15-9+,16-10+
InChIKeyCDASVLWYTHCEFO-KAVGSWPWSA-N
MW224.39 g/mol
LogP4.14
Rot. Bonds3

About N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine

N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine (PubChem CID 89497259) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine.

Molecular Properties

Compound NameN-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine
PubChem CID89497259
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine
SMILESCC(C)(C)CC(C)(C)/N=C/C=N/C(C)(C)C
InChIInChI=1S/C14H28N2/c1-12(2,3)11-14(7,8)16-10-9-15-13(4,5)6/h9-10H,11H2,1-8H3/b15-9+,16-10+
InChIKeyCDASVLWYTHCEFO-KAVGSWPWSA-N
XLogP4.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.14
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-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine?
The IUPAC name of N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine (CID 89497259) is N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine.
What is the SMILES notation for N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine?
The canonical SMILES for N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine is CC(C)(C)CC(C)(C)/N=C/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine?
The InChIKey is CDASVLWYTHCEFO-KAVGSWPWSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2,3)11-14(7,8)16-10-9-15-13(4,5)6/h9-10H,11H2,1-8H3/b15-9+,16-10+.
What are the key properties of N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine?
N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine has a molecular weight of 224.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diimine is sourced from PubChem (CID 89497259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).