4-ethanimidoylpiperazin-1-amine

C6H14N4 — CID 143256667

IUPAC4-ethanimidoylpiperazin-1-amine
SMILES[H]/N=C(\C)N1CCN(N)CC1
InChIInChI=1S/C6H14N4/c1-6(7)9-2-4-10(8)5-3-9/h7H,2-5,8H2,1H3/b7-6+
InChIKeyNYOYXPUMVKKVKV-VOTSOKGWSA-N
MW142.21 g/mol
LogP-0.53
Rot. Bonds

About 4-ethanimidoylpiperazin-1-amine

4-ethanimidoylpiperazin-1-amine (PubChem CID 143256667) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 4-ethanimidoylpiperazin-1-amine.

Molecular Properties

Compound Name4-ethanimidoylpiperazin-1-amine
PubChem CID143256667
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name4-ethanimidoylpiperazin-1-amine
SMILES[H]/N=C(\C)N1CCN(N)CC1
InChIInChI=1S/C6H14N4/c1-6(7)9-2-4-10(8)5-3-9/h7H,2-5,8H2,1H3/b7-6+
InChIKeyNYOYXPUMVKKVKV-VOTSOKGWSA-N
XLogP-0.53
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-0.53
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoylpiperazin-1-amine?
The IUPAC name of 4-ethanimidoylpiperazin-1-amine (CID 143256667) is 4-ethanimidoylpiperazin-1-amine.
What is the SMILES notation for 4-ethanimidoylpiperazin-1-amine?
The canonical SMILES for 4-ethanimidoylpiperazin-1-amine is [H]/N=C(\C)N1CCN(N)CC1.
What is the InChIKey of 4-ethanimidoylpiperazin-1-amine?
The InChIKey is NYOYXPUMVKKVKV-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H14N4/c1-6(7)9-2-4-10(8)5-3-9/h7H,2-5,8H2,1H3/b7-6+.
What are the key properties of 4-ethanimidoylpiperazin-1-amine?
4-ethanimidoylpiperazin-1-amine has a molecular weight of 142.21 g/mol, XLogP of -0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoylpiperazin-1-amine is sourced from PubChem (CID 143256667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).