N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine

C10H18N4 — CID 142173714

IUPACN-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine
SMILES[H]/N=C/C(=C)/C(=N\C)N1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-9(8-11)10(12-2)14-6-4-13(3)5-7-14/h8,11H,1,4-7H2,2-3H3/b11-8+,12-10+
InChIKeyHGHCNWNGEBFUBL-TXSAMIJNSA-N
MW194.28 g/mol
LogP0.47
Rot. Bonds2

About N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine

N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine (PubChem CID 142173714) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine.

Molecular Properties

Compound NameN-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine
PubChem CID142173714
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine
SMILES[H]/N=C/C(=C)/C(=N\C)N1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-9(8-11)10(12-2)14-6-4-13(3)5-7-14/h8,11H,1,4-7H2,2-3H3/b11-8+,12-10+
InChIKeyHGHCNWNGEBFUBL-TXSAMIJNSA-N
XLogP0.47
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.47
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 N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine?
The IUPAC name of N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine (CID 142173714) is N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine.
What is the SMILES notation for N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine?
The canonical SMILES for N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine is [H]/N=C/C(=C)/C(=N\C)N1CCN(C)CC1.
What is the InChIKey of N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine?
The InChIKey is HGHCNWNGEBFUBL-TXSAMIJNSA-N. The full InChI is InChI=1S/C10H18N4/c1-9(8-11)10(12-2)14-6-4-13(3)5-7-14/h8,11H,1,4-7H2,2-3H3/b11-8+,12-10+.
What are the key properties of N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine?
N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine has a molecular weight of 194.28 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-1-(4-methylpiperazin-1-yl)propane-1,3-diimine is sourced from PubChem (CID 142173714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).