ethane;N,N',2-trimethylpropanimidamide

C8H20N2 — CID 155741281

IUPACethane;N,N',2-trimethylpropanimidamide
SMILESC/N=C(/NC)C(C)C.CC
InChIInChI=1S/C6H14N2.C2H6/c1-5(2)6(7-3)8-4;1-2/h5H,1-4H3,(H,7,8);1-2H3
InChIKeyMOSJJVFOVDVDIE-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.92
Rot. Bonds1

About ethane;N,N',2-trimethylpropanimidamide

ethane;N,N',2-trimethylpropanimidamide (PubChem CID 155741281) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is ethane;N,N',2-trimethylpropanimidamide.

Molecular Properties

Compound Nameethane;N,N',2-trimethylpropanimidamide
PubChem CID155741281
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Nameethane;N,N',2-trimethylpropanimidamide
SMILESC/N=C(/NC)C(C)C.CC
InChIInChI=1S/C6H14N2.C2H6/c1-5(2)6(7-3)8-4;1-2/h5H,1-4H3,(H,7,8);1-2H3
InChIKeyMOSJJVFOVDVDIE-UHFFFAOYSA-N
XLogP1.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N,N',2-trimethylpropanimidamide?
The IUPAC name of ethane;N,N',2-trimethylpropanimidamide (CID 155741281) is ethane;N,N',2-trimethylpropanimidamide.
What is the SMILES notation for ethane;N,N',2-trimethylpropanimidamide?
The canonical SMILES for ethane;N,N',2-trimethylpropanimidamide is C/N=C(/NC)C(C)C.CC.
What is the InChIKey of ethane;N,N',2-trimethylpropanimidamide?
The InChIKey is MOSJJVFOVDVDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2H6/c1-5(2)6(7-3)8-4;1-2/h5H,1-4H3,(H,7,8);1-2H3.
What are the key properties of ethane;N,N',2-trimethylpropanimidamide?
ethane;N,N',2-trimethylpropanimidamide has a molecular weight of 144.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N',2-trimethylpropanimidamide is sourced from PubChem (CID 155741281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).