N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide

C15H23N3 — CID 130559040

IUPACN'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide
SMILESCC/C(N)=N\C1CCN(Cc2ccccc2)C1C
InChIInChI=1S/C15H23N3/c1-3-15(16)17-14-9-10-18(12(14)2)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H2,16,17)
InChIKeyUWBHWTNXXLQPGX-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.42
Rot. Bonds4

About N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide

N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide (PubChem CID 130559040) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide.

Molecular Properties

Compound NameN'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide
PubChem CID130559040
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide
SMILESCC/C(N)=N\C1CCN(Cc2ccccc2)C1C
InChIInChI=1S/C15H23N3/c1-3-15(16)17-14-9-10-18(12(14)2)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H2,16,17)
InChIKeyUWBHWTNXXLQPGX-UHFFFAOYSA-N
XLogP2.42
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.42
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'}

Analyze N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine
CID 130558815
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine
CID 130559150
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
4-benzyl-3-methylmorpholin-2-amine
CID 154296445
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
CID 130559023
2-(1-benzyl-2-methylpiperidin-3-yl)ethanamine
CID 83850522
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide?
The IUPAC name of N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide (CID 130559040) is N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide.
What is the SMILES notation for N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide?
The canonical SMILES for N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide is CC/C(N)=N\C1CCN(Cc2ccccc2)C1C.
What is the InChIKey of N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide?
The InChIKey is UWBHWTNXXLQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-15(16)17-14-9-10-18(12(14)2)11-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide?
N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide has a molecular weight of 245.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide is sourced from PubChem (CID 130559040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).