N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide

C13H26N4 — CID 63620899

IUPACN'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide
SMILESCCN1CCN(/C(N)=N/C2CCCC2)CC1C
InChIInChI=1S/C13H26N4/c1-3-16-8-9-17(10-11(16)2)13(14)15-12-6-4-5-7-12/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyMECOFGLGYBURQR-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.27
Rot. Bonds2

About N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide

N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide (PubChem CID 63620899) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide
PubChem CID63620899
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide
SMILESCCN1CCN(/C(N)=N/C2CCCC2)CC1C
InChIInChI=1S/C13H26N4/c1-3-16-8-9-17(10-11(16)2)13(14)15-12-6-4-5-7-12/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyMECOFGLGYBURQR-UHFFFAOYSA-N
XLogP1.27
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.27
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 N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide (CID 63620899) is N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide is CCN1CCN(/C(N)=N/C2CCCC2)CC1C.
What is the InChIKey of N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide?
The InChIKey is MECOFGLGYBURQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-3-16-8-9-17(10-11(16)2)13(14)15-12-6-4-5-7-12/h11-12H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide?
N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide has a molecular weight of 238.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 63620899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).