2-imino-4-methylpiperazin-1-amine

C5H12N4 — CID 144986358

IUPAC2-imino-4-methylpiperazin-1-amine
SMILES[H]/N=C1\CN(C)CCN1N
InChIInChI=1S/C5H12N4/c1-8-2-3-9(7)5(6)4-8/h6H,2-4,7H2,1H3/b6-5+
InChIKeyLKASANZGHMUSAK-AATRIKPKSA-N
MW128.18 g/mol
LogP-0.92
Rot. Bonds

About 2-imino-4-methylpiperazin-1-amine

2-imino-4-methylpiperazin-1-amine (PubChem CID 144986358) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-imino-4-methylpiperazin-1-amine.

Molecular Properties

Compound Name2-imino-4-methylpiperazin-1-amine
PubChem CID144986358
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name2-imino-4-methylpiperazin-1-amine
SMILES[H]/N=C1\CN(C)CCN1N
InChIInChI=1S/C5H12N4/c1-8-2-3-9(7)5(6)4-8/h6H,2-4,7H2,1H3/b6-5+
InChIKeyLKASANZGHMUSAK-AATRIKPKSA-N
XLogP-0.92
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-(1-iminoethyl)-4-methyl-
CID 12283354
N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanimidamide
CID 59020795
1,4-Dimethylpiperazine-2,6-diimine
CID 68025068
4-Aminopiperazine-1-carboximidamide
CID 69200561
1-(1-Ethyl-1,2,4-triazinan-4-yl)ethanimine
CID 90999495
1-Methanimidoyl-4-methylpiperazin-2-imine
CID 123496488
1,4-Dimethylpiperazin-2-imine
CID 129261813
4-Ethanimidoylpiperazin-1-amine
CID 143256667
4-Ethyl-1-methanimidoylpiperazin-2-imine
CID 144236310
Ethane;4-ethanimidoylpiperazin-1-amine
CID 144326842
2-imino-N-methylpiperazin-1-amine
CID 144675229
Ethane;2-imino-4-methylpiperazin-1-amine
CID 144986357

Frequently Asked Questions

What is the IUPAC name of 2-imino-4-methylpiperazin-1-amine?
The IUPAC name of 2-imino-4-methylpiperazin-1-amine (CID 144986358) is 2-imino-4-methylpiperazin-1-amine.
What is the SMILES notation for 2-imino-4-methylpiperazin-1-amine?
The canonical SMILES for 2-imino-4-methylpiperazin-1-amine is [H]/N=C1\CN(C)CCN1N.
What is the InChIKey of 2-imino-4-methylpiperazin-1-amine?
The InChIKey is LKASANZGHMUSAK-AATRIKPKSA-N. The full InChI is InChI=1S/C5H12N4/c1-8-2-3-9(7)5(6)4-8/h6H,2-4,7H2,1H3/b6-5+.
What are the key properties of 2-imino-4-methylpiperazin-1-amine?
2-imino-4-methylpiperazin-1-amine has a molecular weight of 128.18 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4-methylpiperazin-1-amine is sourced from PubChem (CID 144986358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).