N,N',2-trimethylpropane-1,3-diimine

C6H12N2 — CID 89061546

IUPACN,N',2-trimethylpropane-1,3-diimine
SMILESC/N=C/C(C)/C=N/C
InChIInChI=1S/C6H12N2/c1-6(4-7-2)5-8-3/h4-6H,1-3H3/b7-4+,8-5+
InChIKeyCPFNEEAKJOIBCK-NSLJXJERSA-N
MW112.18 g/mol
LogP1.02
Rot. Bonds2

About N,N',2-trimethylpropane-1,3-diimine

N,N',2-trimethylpropane-1,3-diimine (PubChem CID 89061546) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N,N',2-trimethylpropane-1,3-diimine.

Molecular Properties

Compound NameN,N',2-trimethylpropane-1,3-diimine
PubChem CID89061546
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN,N',2-trimethylpropane-1,3-diimine
SMILESC/N=C/C(C)/C=N/C
InChIInChI=1S/C6H12N2/c1-6(4-7-2)5-8-3/h4-6H,1-3H3/b7-4+,8-5+
InChIKeyCPFNEEAKJOIBCK-NSLJXJERSA-N
XLogP1.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.02
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,N',2-trimethylpropane-1,3-diimine?
The IUPAC name of N,N',2-trimethylpropane-1,3-diimine (CID 89061546) is N,N',2-trimethylpropane-1,3-diimine.
What is the SMILES notation for N,N',2-trimethylpropane-1,3-diimine?
The canonical SMILES for N,N',2-trimethylpropane-1,3-diimine is C/N=C/C(C)/C=N/C.
What is the InChIKey of N,N',2-trimethylpropane-1,3-diimine?
The InChIKey is CPFNEEAKJOIBCK-NSLJXJERSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(4-7-2)5-8-3/h4-6H,1-3H3/b7-4+,8-5+.
What are the key properties of N,N',2-trimethylpropane-1,3-diimine?
N,N',2-trimethylpropane-1,3-diimine has a molecular weight of 112.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethylpropane-1,3-diimine is sourced from PubChem (CID 89061546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).