ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine

C13H30N2 — CID 142130307

IUPACethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine
SMILESC=C(C)/N=C(C)/C=N/C.CC.CC.CC
InChIInChI=1S/C7H12N2.3C2H6/c1-6(2)9-7(3)5-8-4;3*1-2/h5H,1H2,2-4H3;3*1-2H3/b8-5+,9-7+;;;
InChIKeyGKZUIMWDIMGRIM-QICDSUJWSA-N
MW214.40 g/mol
LogP4.76
Rot. Bonds2

About ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine

ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine (PubChem CID 142130307) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine.

Molecular Properties

Compound Nameethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine
PubChem CID142130307
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Nameethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine
SMILESC=C(C)/N=C(C)/C=N/C.CC.CC.CC
InChIInChI=1S/C7H12N2.3C2H6/c1-6(2)9-7(3)5-8-4;3*1-2/h5H,1H2,2-4H3;3*1-2H3/b8-5+,9-7+;;;
InChIKeyGKZUIMWDIMGRIM-QICDSUJWSA-N
XLogP4.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 54.76
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 ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine?
The IUPAC name of ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine (CID 142130307) is ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine.
What is the SMILES notation for ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine?
The canonical SMILES for ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine is C=C(C)/N=C(C)/C=N/C.CC.CC.CC.
What is the InChIKey of ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine?
The InChIKey is GKZUIMWDIMGRIM-QICDSUJWSA-N. The full InChI is InChI=1S/C7H12N2.3C2H6/c1-6(2)9-7(3)5-8-4;3*1-2/h5H,1H2,2-4H3;3*1-2H3/b8-5+,9-7+;;;.
What are the key properties of ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine?
ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine has a molecular weight of 214.40 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-methyl-2-N-prop-1-en-2-ylpropane-1,2-diimine is sourced from PubChem (CID 142130307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).