2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine

C9H18N4 — CID 21348459

IUPAC2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine
SMILES[H]/N=C(\N1CCNCC1)C(C)(C)N=C
InChIInChI=1S/C9H18N4/c1-9(2,11-3)8(10)13-6-4-12-5-7-13/h10,12H,3-7H2,1-2H3/b10-8-
InChIKeyLRNMHVPYRIBBAL-NTMALXAHSA-N
MW182.27 g/mol
LogP0.35
Rot. Bonds2

About 2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine

2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine (PubChem CID 21348459) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine.

Molecular Properties

Compound Name2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine
PubChem CID21348459
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine
SMILES[H]/N=C(\N1CCNCC1)C(C)(C)N=C
InChIInChI=1S/C9H18N4/c1-9(2,11-3)8(10)13-6-4-12-5-7-13/h10,12H,3-7H2,1-2H3/b10-8-
InChIKeyLRNMHVPYRIBBAL-NTMALXAHSA-N
XLogP0.35
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
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-piperazin-1-ylpropane-1,2-diimine?
The IUPAC name of 2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine (CID 21348459) is 2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine.
What is the SMILES notation for 2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine?
The canonical SMILES for 2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine is [H]/N=C(\N1CCNCC1)C(C)(C)N=C.
What is the InChIKey of 2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine?
The InChIKey is LRNMHVPYRIBBAL-NTMALXAHSA-N. The full InChI is InChI=1S/C9H18N4/c1-9(2,11-3)8(10)13-6-4-12-5-7-13/h10,12H,3-7H2,1-2H3/b10-8-.
What are the key properties of 2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine?
2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine has a molecular weight of 182.27 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-methylidene-1-piperazin-1-ylpropane-1,2-diimine is sourced from PubChem (CID 21348459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).