N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide

C10H21N3O — CID 137434806

IUPACN-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)OC)N1CCCC1
InChIInChI=1S/C10H21N3O/c1-9(14-3)8-12-10(11-2)13-6-4-5-7-13/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyOHWNAZVRCCOFCA-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.69
Rot. Bonds3

About N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide

N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 137434806) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID137434806
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)OC)N1CCCC1
InChIInChI=1S/C10H21N3O/c1-9(14-3)8-12-10(11-2)13-6-4-5-7-13/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyOHWNAZVRCCOFCA-UHFFFAOYSA-N
XLogP0.69
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.69
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-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide (CID 137434806) is N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\NCC(C)OC)N1CCCC1.
What is the InChIKey of N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is OHWNAZVRCCOFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(14-3)8-12-10(11-2)13-6-4-5-7-13/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide?
N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 137434806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).