3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide

C9H19N3O — CID 103534600

IUPAC3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/C(C)C)C1
InChIInChI=1S/C9H19N3O/c1-7(2)11-9(10)12-5-4-8(6-12)13-3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyWLRWAMNIFSMIGZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds2

About 3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide

3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide (PubChem CID 103534600) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
PubChem CID103534600
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/C(C)C)C1
InChIInChI=1S/C9H19N3O/c1-7(2)11-9(10)12-5-4-8(6-12)13-3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyWLRWAMNIFSMIGZ-UHFFFAOYSA-N
XLogP0.43
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
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

5-methyl-N,3-di(propan-2-yl)-1,3-oxazolidin-2-imine
CID 21523595
(3S)-3-methoxypyrrolidine-1-carboximidamide
CID 89794542
(3R)-3-methoxypyrrolidine-1-carboximidamide
CID 89794543
(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboximidamide
CID 117981667
3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
CID 123840537
N-(2-methoxypropyl)-N'-methylpyrrolidine-1-carboximidamide
CID 137434806
(4R,5S)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 14868427
(4R,5R)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 14868428
(4S,5S)-N,3-dibutyl-4,5-dimethyl-1,3-oxazolidin-2-imine
CID 21779900
1-Butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine
CID 62358412
2-Cyclopentyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 62361861
1-Butan-2-yl-2-cyclopentyl-1-(2-methoxyethyl)guanidine
CID 62362082

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide (CID 103534600) is 3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide is COC1CCN(/C(N)=N/C(C)C)C1.
What is the InChIKey of 3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The InChIKey is WLRWAMNIFSMIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(2)11-9(10)12-5-4-8(6-12)13-3/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).