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

C10H20N4 — CID 139358883

IUPAC(Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine
SMILES[H]/N=C(C)/C(=C(/C)N)C1CNCC(C)N1
InChIInChI=1S/C10H20N4/c1-6-4-13-5-9(14-6)10(7(2)11)8(3)12/h6,9,11,13-14H,4-5,12H2,1-3H3/b10-8+,11-7+
InChIKeyFMHINILSGJMQJI-VTTRTIMMSA-N
MW196.30 g/mol
LogP0.21
Rot. Bonds2

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

(Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine (PubChem CID 139358883) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine
PubChem CID139358883
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine
SMILES[H]/N=C(C)/C(=C(/C)N)C1CNCC(C)N1
InChIInChI=1S/C10H20N4/c1-6-4-13-5-9(14-6)10(7(2)11)8(3)12/h6,9,11,13-14H,4-5,12H2,1-3H3/b10-8+,11-7+
InChIKeyFMHINILSGJMQJI-VTTRTIMMSA-N
XLogP0.21
TPSA73.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine?
The IUPAC name of (Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine (CID 139358883) is (Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine is [H]/N=C(C)/C(=C(/C)N)C1CNCC(C)N1.
What is the InChIKey of (Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine?
The InChIKey is FMHINILSGJMQJI-VTTRTIMMSA-N. The full InChI is InChI=1S/C10H20N4/c1-6-4-13-5-9(14-6)10(7(2)11)8(3)12/h6,9,11,13-14H,4-5,12H2,1-3H3/b10-8+,11-7+.
What are the key properties of (Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine?
(Z)-4-imino-3-(6-methylpiperazin-2-yl)pent-2-en-2-amine has a molecular weight of 196.30 g/mol, XLogP of 0.21, 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)pent-2-en-2-amine is sourced from PubChem (CID 139358883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).