3-(4-methylpiperazin-1-yl)pentanimidamide

C10H22N4 — CID 43367811

IUPAC3-(4-methylpiperazin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(C)CC1
InChIInChI=1S/C10H22N4/c1-3-9(8-10(11)12)14-6-4-13(2)5-7-14/h9H,3-8H2,1-2H3,(H3,11,12)
InChIKeyZNHTZSHPBLCNNZ-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.34
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)pentanimidamide

3-(4-methylpiperazin-1-yl)pentanimidamide (PubChem CID 43367811) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)pentanimidamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)pentanimidamide
PubChem CID43367811
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name3-(4-methylpiperazin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(C)CC1
InChIInChI=1S/C10H22N4/c1-3-9(8-10(11)12)14-6-4-13(2)5-7-14/h9H,3-8H2,1-2H3,(H3,11,12)
InChIKeyZNHTZSHPBLCNNZ-UHFFFAOYSA-N
XLogP0.34
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3-(4-methylpiperazin-1-yl)pentanimidamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)pentanimidamide (CID 43367811) is 3-(4-methylpiperazin-1-yl)pentanimidamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)pentanimidamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCN(C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)pentanimidamide?
The InChIKey is ZNHTZSHPBLCNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-3-9(8-10(11)12)14-6-4-13(2)5-7-14/h9H,3-8H2,1-2H3,(H3,11,12).
What are the key properties of 3-(4-methylpiperazin-1-yl)pentanimidamide?
3-(4-methylpiperazin-1-yl)pentanimidamide has a molecular weight of 198.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)pentanimidamide is sourced from PubChem (CID 43367811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).