2-imino-N-methylpiperazin-1-amine

C5H12N4 — CID 144675229

IUPAC2-imino-N-methylpiperazin-1-amine
SMILES[H]/N=C1\CNCCN1NC
InChIInChI=1S/C5H12N4/c1-7-9-3-2-8-4-5(9)6/h6-8H,2-4H2,1H3/b6-5+
InChIKeyLOVPQSUFVYAPPH-AATRIKPKSA-N
MW128.18 g/mol
LogP-1.00
Rot. Bonds1

About 2-imino-N-methylpiperazin-1-amine

2-imino-N-methylpiperazin-1-amine (PubChem CID 144675229) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-imino-N-methylpiperazin-1-amine.

Molecular Properties

Compound Name2-imino-N-methylpiperazin-1-amine
PubChem CID144675229
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name2-imino-N-methylpiperazin-1-amine
SMILES[H]/N=C1\CNCCN1NC
InChIInChI=1S/C5H12N4/c1-7-9-3-2-8-4-5(9)6/h6-8H,2-4H2,1H3/b6-5+
InChIKeyLOVPQSUFVYAPPH-AATRIKPKSA-N
XLogP-1.00
TPSA51.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-Ethyl-1,2,4-triazinan-4-yl)ethanimine
CID 90999495
1-Ethanimidoylpiperazin-2-imine
CID 123987304
4-Ethanimidoylpiperazin-1-amine
CID 143256667
4-Methyl-1-(2-methylhydrazinyl)piperazin-2-imine
CID 148808387
N-methyl-N,2-bis(methylamino)ethanimidamide
CID 163948445
3-Methyl-5,6-dihydro-1,2,4-triazin-4(1H)-amine
CID 12347014
2-Imino-4-methylpiperazin-1-amine
CID 144986358

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-methylpiperazin-1-amine?
The IUPAC name of 2-imino-N-methylpiperazin-1-amine (CID 144675229) is 2-imino-N-methylpiperazin-1-amine.
What is the SMILES notation for 2-imino-N-methylpiperazin-1-amine?
The canonical SMILES for 2-imino-N-methylpiperazin-1-amine is [H]/N=C1\CNCCN1NC.
What is the InChIKey of 2-imino-N-methylpiperazin-1-amine?
The InChIKey is LOVPQSUFVYAPPH-AATRIKPKSA-N. The full InChI is InChI=1S/C5H12N4/c1-7-9-3-2-8-4-5(9)6/h6-8H,2-4H2,1H3/b6-5+.
What are the key properties of 2-imino-N-methylpiperazin-1-amine?
2-imino-N-methylpiperazin-1-amine has a molecular weight of 128.18 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-methylpiperazin-1-amine is sourced from PubChem (CID 144675229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).