4-methyl-N'-propylpiperazine-1-carboximidamide

C9H20N4 — CID 62360845

IUPAC4-methyl-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCN(C)CC1
InChIInChI=1S/C9H20N4/c1-3-4-11-9(10)13-7-5-12(2)6-8-13/h3-8H2,1-2H3,(H2,10,11)
InChIKeyWVBDTYCFUBNWRT-UHFFFAOYSA-N
MW184.29 g/mol
LogP-0.04
Rot. Bonds2

About 4-methyl-N'-propylpiperazine-1-carboximidamide

4-methyl-N'-propylpiperazine-1-carboximidamide (PubChem CID 62360845) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 4-methyl-N'-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-propylpiperazine-1-carboximidamide
PubChem CID62360845
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name4-methyl-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCN(C)CC1
InChIInChI=1S/C9H20N4/c1-3-4-11-9(10)13-7-5-12(2)6-8-13/h3-8H2,1-2H3,(H2,10,11)
InChIKeyWVBDTYCFUBNWRT-UHFFFAOYSA-N
XLogP-0.04
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
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 4-methyl-N'-propylpiperazine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-propylpiperazine-1-carboximidamide (CID 62360845) is 4-methyl-N'-propylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-propylpiperazine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-propylpiperazine-1-carboximidamide is CCC/N=C(\N)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-N'-propylpiperazine-1-carboximidamide?
The InChIKey is WVBDTYCFUBNWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-3-4-11-9(10)13-7-5-12(2)6-8-13/h3-8H2,1-2H3,(H2,10,11).
What are the key properties of 4-methyl-N'-propylpiperazine-1-carboximidamide?
4-methyl-N'-propylpiperazine-1-carboximidamide has a molecular weight of 184.29 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 62360845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).