3-imino-3-(4-methylpiperazin-1-yl)propanimidamide

C8H17N5 — CID 123745737

IUPAC3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\N)C/C(=N\[H])N1CCN(C)CC1
InChIInChI=1S/C8H17N5/c1-12-2-4-13(5-3-12)8(11)6-7(9)10/h11H,2-6H2,1H3,(H3,9,10)/b11-8+
InChIKeyAHMYMQHKQGFSQD-DHZHZOJOSA-N
MW183.26 g/mol
LogP-0.46
Rot. Bonds2

About 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide

3-imino-3-(4-methylpiperazin-1-yl)propanimidamide (PubChem CID 123745737) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound Name3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
PubChem CID123745737
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name3-imino-3-(4-methylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\N)C/C(=N\[H])N1CCN(C)CC1
InChIInChI=1S/C8H17N5/c1-12-2-4-13(5-3-12)8(11)6-7(9)10/h11H,2-6H2,1H3,(H3,9,10)/b11-8+
InChIKeyAHMYMQHKQGFSQD-DHZHZOJOSA-N
XLogP-0.46
TPSA80.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide 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 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
The IUPAC name of 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide (CID 123745737) is 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
The canonical SMILES for 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide is [H]/N=C(\N)C/C(=N\[H])N1CCN(C)CC1.
What is the InChIKey of 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
The InChIKey is AHMYMQHKQGFSQD-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H17N5/c1-12-2-4-13(5-3-12)8(11)6-7(9)10/h11H,2-6H2,1H3,(H3,9,10)/b11-8+.
What are the key properties of 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide?
3-imino-3-(4-methylpiperazin-1-yl)propanimidamide has a molecular weight of 183.26 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-(4-methylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 123745737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).