1-methylpiperazin-2-imine

C5H11N3 — CID 70652927

IUPAC1-methylpiperazin-2-imine
SMILES[H]/N=C1\CNCCN1C
InChIInChI=1S/C5H11N3/c1-8-3-2-7-4-5(8)6/h6-7H,2-4H2,1H3/b6-5+
InChIKeyHRBHHJPFKVGJMU-AATRIKPKSA-N
MW113.16 g/mol
LogP-0.50
Rot. Bonds

About 1-methylpiperazin-2-imine

1-methylpiperazin-2-imine (PubChem CID 70652927) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-methylpiperazin-2-imine.

Molecular Properties

Compound Name1-methylpiperazin-2-imine
PubChem CID70652927
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name1-methylpiperazin-2-imine
SMILES[H]/N=C1\CNCCN1C
InChIInChI=1S/C5H11N3/c1-8-3-2-7-4-5(8)6/h6-7H,2-4H2,1H3/b6-5+
InChIKeyHRBHHJPFKVGJMU-AATRIKPKSA-N
XLogP-0.50
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
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 1-methylpiperazin-2-imine?
The IUPAC name of 1-methylpiperazin-2-imine (CID 70652927) is 1-methylpiperazin-2-imine.
What is the SMILES notation for 1-methylpiperazin-2-imine?
The canonical SMILES for 1-methylpiperazin-2-imine is [H]/N=C1\CNCCN1C.
What is the InChIKey of 1-methylpiperazin-2-imine?
The InChIKey is HRBHHJPFKVGJMU-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11N3/c1-8-3-2-7-4-5(8)6/h6-7H,2-4H2,1H3/b6-5+.
What are the key properties of 1-methylpiperazin-2-imine?
1-methylpiperazin-2-imine has a molecular weight of 113.16 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperazin-2-imine is sourced from PubChem (CID 70652927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).