3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide

C16H25N3O — CID 111731071

IUPAC3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide
SMILESCCCN/C(=N\C)N1CCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H25N3O/c1-4-10-18-16(17-2)19-11-9-14(12-19)13-5-7-15(20-3)8-6-13/h5-8,14H,4,9-12H2,1-3H3,(H,17,18)
InChIKeyOEXVYDKUHOGVKZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.47
Rot. Bonds4

About 3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide

3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide (PubChem CID 111731071) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide
PubChem CID111731071
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide
SMILESCCCN/C(=N\C)N1CCC(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H25N3O/c1-4-10-18-16(17-2)19-11-9-14(12-19)13-5-7-15(20-3)8-6-13/h5-8,14H,4,9-12H2,1-3H3,(H,17,18)
InChIKeyOEXVYDKUHOGVKZ-UHFFFAOYSA-N
XLogP2.47
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.47
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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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111731951
N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111731410
N-(5-methoxypentyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111731444
N-(2-ethylbutyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111994700
3-(4-methoxyphenyl)-N'-methyl-N-[2-(oxolan-2-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111731377
methyl 5-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]pentanoate;hydroiodide
CID 111732242
3-(4-methoxyphenyl)-N'-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide
CID 111731433
3-(4-methoxyphenyl)-N'-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119142828
N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111732092
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111731918
2-chloro-N-[2-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111731420
tert-butyl N-[2-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-N-methylcarbamate
CID 111732085

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide (CID 111731071) is 3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide is CCCN/C(=N\C)N1CCC(c2ccc(OC)cc2)C1.
What is the InChIKey of 3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide?
The InChIKey is OEXVYDKUHOGVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-10-18-16(17-2)19-11-9-14(12-19)13-5-7-15(20-3)8-6-13/h5-8,14H,4,9-12H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide?
3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111731071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).