2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine

C10H20N4 — CID 138497199

IUPAC2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine
SMILES[H]/N=C(\N1CCN(C)CC1)C(C)(C)N=C
InChIInChI=1S/C10H20N4/c1-10(2,12-3)9(11)14-7-5-13(4)6-8-14/h11H,3,5-8H2,1-2,4H3/b11-9-
InChIKeyMWIBMJHLUREWFQ-LUAWRHEFSA-N
MW196.30 g/mol
LogP0.69
Rot. Bonds2

About 2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine

2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine (PubChem CID 138497199) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine.

Molecular Properties

Compound Name2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine
PubChem CID138497199
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine
SMILES[H]/N=C(\N1CCN(C)CC1)C(C)(C)N=C
InChIInChI=1S/C10H20N4/c1-10(2,12-3)9(11)14-7-5-13(4)6-8-14/h11H,3,5-8H2,1-2,4H3/b11-9-
InChIKeyMWIBMJHLUREWFQ-LUAWRHEFSA-N
XLogP0.69
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine?
The IUPAC name of 2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine (CID 138497199) is 2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine.
What is the SMILES notation for 2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine?
The canonical SMILES for 2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine is [H]/N=C(\N1CCN(C)CC1)C(C)(C)N=C.
What is the InChIKey of 2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine?
The InChIKey is MWIBMJHLUREWFQ-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H20N4/c1-10(2,12-3)9(11)14-7-5-13(4)6-8-14/h11H,3,5-8H2,1-2,4H3/b11-9-.
What are the key properties of 2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine?
2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine has a molecular weight of 196.30 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-methylidene-1-(4-methylpiperazin-1-yl)propane-1,2-diimine is sourced from PubChem (CID 138497199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).