(Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine

C9H18N4 — CID 139358975

IUPAC(Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine
SMILES[H]/N=C/C(=C(/C)N)C1CNCC(C)N1
InChIInChI=1S/C9H18N4/c1-6-4-12-5-9(13-6)8(3-10)7(2)11/h3,6,9-10,12-13H,4-5,11H2,1-2H3/b8-7+,10-3+
InChIKeyCKOOLSNPNQOXFK-XWDWXOABSA-N
MW182.27 g/mol
LogP-0.18
Rot. Bonds2

About (Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine

(Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine (PubChem CID 139358975) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is (Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine
PubChem CID139358975
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name(Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine
SMILES[H]/N=C/C(=C(/C)N)C1CNCC(C)N1
InChIInChI=1S/C9H18N4/c1-6-4-12-5-9(13-6)8(3-10)7(2)11/h3,6,9-10,12-13H,4-5,11H2,1-2H3/b8-7+,10-3+
InChIKeyCKOOLSNPNQOXFK-XWDWXOABSA-N
XLogP-0.18
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine?
The IUPAC name of (Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine (CID 139358975) is (Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine is [H]/N=C/C(=C(/C)N)C1CNCC(C)N1.
What is the InChIKey of (Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine?
The InChIKey is CKOOLSNPNQOXFK-XWDWXOABSA-N. The full InChI is InChI=1S/C9H18N4/c1-6-4-12-5-9(13-6)8(3-10)7(2)11/h3,6,9-10,12-13H,4-5,11H2,1-2H3/b8-7+,10-3+.
What are the key properties of (Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine?
(Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine has a molecular weight of 182.27 g/mol, XLogP of -0.18, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-(6-methylpiperazin-2-yl)but-2-en-2-amine is sourced from PubChem (CID 139358975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).