ethane;2-imino-4-methylpiperazin-1-amine

C9H24N4 — CID 144986357

IUPACethane;2-imino-4-methylpiperazin-1-amine
SMILESCC.CC.[H]/N=C1\CN(C)CCN1N
InChIInChI=1S/C5H12N4.2C2H6/c1-8-2-3-9(7)5(6)4-8;2*1-2/h6H,2-4,7H2,1H3;2*1-2H3/b6-5+;;
InChIKeyZFAJZXMCPMBIDW-TXOOBNKBSA-N
MW188.32 g/mol
LogP1.14
Rot. Bonds

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

ethane;2-imino-4-methylpiperazin-1-amine (PubChem CID 144986357) has the molecular formula C9H24N4 and a molecular weight of 188.32 g/mol. Its IUPAC name is ethane;2-imino-4-methylpiperazin-1-amine.

Molecular Properties

Compound Nameethane;2-imino-4-methylpiperazin-1-amine
PubChem CID144986357
Molecular FormulaC9H24N4
Molecular Weight188.32 g/mol
Exact Mass188.20
IUPAC Nameethane;2-imino-4-methylpiperazin-1-amine
SMILESCC.CC.[H]/N=C1\CN(C)CCN1N
InChIInChI=1S/C5H12N4.2C2H6/c1-8-2-3-9(7)5(6)4-8;2*1-2/h6H,2-4,7H2,1H3;2*1-2H3/b6-5+;;
InChIKeyZFAJZXMCPMBIDW-TXOOBNKBSA-N
XLogP1.14
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of ethane;2-imino-4-methylpiperazin-1-amine?
The IUPAC name of ethane;2-imino-4-methylpiperazin-1-amine (CID 144986357) is ethane;2-imino-4-methylpiperazin-1-amine.
What is the SMILES notation for ethane;2-imino-4-methylpiperazin-1-amine?
The canonical SMILES for ethane;2-imino-4-methylpiperazin-1-amine is CC.CC.[H]/N=C1\CN(C)CCN1N.
What is the InChIKey of ethane;2-imino-4-methylpiperazin-1-amine?
The InChIKey is ZFAJZXMCPMBIDW-TXOOBNKBSA-N. The full InChI is InChI=1S/C5H12N4.2C2H6/c1-8-2-3-9(7)5(6)4-8;2*1-2/h6H,2-4,7H2,1H3;2*1-2H3/b6-5+;;.
What are the key properties of ethane;2-imino-4-methylpiperazin-1-amine?
ethane;2-imino-4-methylpiperazin-1-amine has a molecular weight of 188.32 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-imino-4-methylpiperazin-1-amine is sourced from PubChem (CID 144986357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).