N'-propylpiperazine-1-carboximidamide

C8H18N4 — CID 54213238

IUPACN'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCNCC1
InChIInChI=1S/C8H18N4/c1-2-3-11-8(9)12-6-4-10-5-7-12/h10H,2-7H2,1H3,(H2,9,11)
InChIKeyPXJSBNXBVTVSNA-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.38
Rot. Bonds2

About N'-propylpiperazine-1-carboximidamide

N'-propylpiperazine-1-carboximidamide (PubChem CID 54213238) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-propylpiperazine-1-carboximidamide
PubChem CID54213238
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCNCC1
InChIInChI=1S/C8H18N4/c1-2-3-11-8(9)12-6-4-10-5-7-12/h10H,2-7H2,1H3,(H2,9,11)
InChIKeyPXJSBNXBVTVSNA-UHFFFAOYSA-N
XLogP-0.38
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N'-propylpiperazine-1-carboximidamide?
The IUPAC name of N'-propylpiperazine-1-carboximidamide (CID 54213238) is N'-propylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-propylpiperazine-1-carboximidamide?
The canonical SMILES for N'-propylpiperazine-1-carboximidamide is CCC/N=C(\N)N1CCNCC1.
What is the InChIKey of N'-propylpiperazine-1-carboximidamide?
The InChIKey is PXJSBNXBVTVSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-2-3-11-8(9)12-6-4-10-5-7-12/h10H,2-7H2,1H3,(H2,9,11).
What are the key properties of N'-propylpiperazine-1-carboximidamide?
N'-propylpiperazine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 54213238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).