2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide

C11H24N4 — CID 43175069

IUPAC2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCN(CCC)CC1
InChIInChI=1S/C11H24N4/c1-3-4-14-5-7-15(8-6-14)9-10(2)11(12)13/h10H,3-9H2,1-2H3,(H3,12,13)
InChIKeyBKEASJNCFRZXSX-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.59
Rot. Bonds5

About 2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide

2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide (PubChem CID 43175069) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide
PubChem CID43175069
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCN(CCC)CC1
InChIInChI=1S/C11H24N4/c1-3-4-14-5-7-15(8-6-14)9-10(2)11(12)13/h10H,3-9H2,1-2H3,(H3,12,13)
InChIKeyBKEASJNCFRZXSX-UHFFFAOYSA-N
XLogP0.59
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.59
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 2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide?
The IUPAC name of 2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide (CID 43175069) is 2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for 2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide?
The canonical SMILES for 2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide is [H]/N=C(\N)C(C)CN1CCN(CCC)CC1.
What is the InChIKey of 2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide?
The InChIKey is BKEASJNCFRZXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-3-4-14-5-7-15(8-6-14)9-10(2)11(12)13/h10H,3-9H2,1-2H3,(H3,12,13).
What are the key properties of 2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide?
2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide has a molecular weight of 212.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 43175069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).