N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide

C17H35N3O — CID 111743843

IUPACN-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
SMILESCCC(CC)C1CCN(/C(=N/C)NCCCCCOC)C1
InChIInChI=1S/C17H35N3O/c1-5-15(6-2)16-10-12-20(14-16)17(18-3)19-11-8-7-9-13-21-4/h15-16H,5-14H2,1-4H3,(H,18,19)
InChIKeyXVNQCRHPVYTTLV-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.14
Rot. Bonds9

About N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide

N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide (PubChem CID 111743843) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
PubChem CID111743843
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
SMILESCCC(CC)C1CCN(/C(=N/C)NCCCCCOC)C1
InChIInChI=1S/C17H35N3O/c1-5-15(6-2)16-10-12-20(14-16)17(18-3)19-11-8-7-9-13-21-4/h15-16H,5-14H2,1-4H3,(H,18,19)
InChIKeyXVNQCRHPVYTTLV-UHFFFAOYSA-N
XLogP3.14
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744096
N-[4-(diethylamino)butyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743821
N-(cyclopropylmethyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744010
N-[3-(ethylsulfonylamino)propyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111743928
N-[4-(2-methoxyethoxy)butyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111745993
3-(methoxymethyl)-N'-methyl-N-(3-octoxypropyl)pyrrolidine-1-carboximidamide
CID 111735103
N-(5-methoxypentyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111731444
tert-butyl N-[1-[N-(5-methoxypentyl)-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729579
N-cyclopropyl-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111743695
3-(methoxymethyl)-N'-methyl-N-pentylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737726
N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145255
N'-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111743684

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide (CID 111743843) is N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide is CCC(CC)C1CCN(/C(=N/C)NCCCCCOC)C1.
What is the InChIKey of N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
The InChIKey is XVNQCRHPVYTTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-15(6-2)16-10-12-20(14-16)17(18-3)19-11-8-7-9-13-21-4/h15-16H,5-14H2,1-4H3,(H,18,19).
What are the key properties of N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide?
N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide has a molecular weight of 297.49 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111743843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).