N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide

C18H37N5 — CID 75425788

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
SMILESCCC(CC)C1CCN(/C(=N\C)NCC2CN(C)CCN2C)C1
InChIInChI=1S/C18H37N5/c1-6-15(7-2)16-8-9-23(13-16)18(19-3)20-12-17-14-21(4)10-11-22(17)5/h15-17H,6-14H2,1-5H3,(H,19,20)
InChIKeyYOTNPOKDAMKTKL-UHFFFAOYSA-N
MW323.53 g/mol
LogP1.57
Rot. Bonds5

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide (PubChem CID 75425788) has the molecular formula C18H37N5 and a molecular weight of 323.53 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
PubChem CID75425788
Molecular FormulaC18H37N5
Molecular Weight323.53 g/mol
Exact Mass323.30
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
SMILESCCC(CC)C1CCN(/C(=N\C)NCC2CN(C)CCN2C)C1
InChIInChI=1S/C18H37N5/c1-6-15(7-2)16-8-9-23(13-16)18(19-3)20-12-17-14-21(4)10-11-22(17)5/h15-17H,6-14H2,1-5H3,(H,19,20)
InChIKeyYOTNPOKDAMKTKL-UHFFFAOYSA-N
XLogP1.57
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide (CID 75425788) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide is CCC(CC)C1CCN(/C(=N\C)NCC2CN(C)CCN2C)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
The InChIKey is YOTNPOKDAMKTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5/c1-6-15(7-2)16-8-9-23(13-16)18(19-3)20-12-17-14-21(4)10-11-22(17)5/h15-17H,6-14H2,1-5H3,(H,19,20).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide has a molecular weight of 323.53 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 75425788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).