3-methoxy-N'-propylpyrrolidine-1-carboximidamide

C9H19N3O — CID 103534595

IUPAC3-methoxy-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCC(OC)C1
InChIInChI=1S/C9H19N3O/c1-3-5-11-9(10)12-6-4-8(7-12)13-2/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyANRRMYMNNONGGF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds3

About 3-methoxy-N'-propylpyrrolidine-1-carboximidamide

3-methoxy-N'-propylpyrrolidine-1-carboximidamide (PubChem CID 103534595) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methoxy-N'-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-N'-propylpyrrolidine-1-carboximidamide
PubChem CID103534595
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name3-methoxy-N'-propylpyrrolidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCC(OC)C1
InChIInChI=1S/C9H19N3O/c1-3-5-11-9(10)12-6-4-8(7-12)13-2/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyANRRMYMNNONGGF-UHFFFAOYSA-N
XLogP0.43
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(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
N,3-dibutyl-5-methyl-1,3-oxazolidin-2-imine
CID 13514404
(3-Ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium
CID 23261329
1-(2-Methoxyethyl)-1-(3-methoxypropyl)-2-methylguanidine
CID 62360805
2-Ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 62362134
1-(2-Methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine
CID 62362347
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534593

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-propylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-methoxy-N'-propylpyrrolidine-1-carboximidamide (CID 103534595) is 3-methoxy-N'-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-N'-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-N'-propylpyrrolidine-1-carboximidamide is CCC/N=C(\N)N1CCC(OC)C1.
What is the InChIKey of 3-methoxy-N'-propylpyrrolidine-1-carboximidamide?
The InChIKey is ANRRMYMNNONGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-5-11-9(10)12-6-4-8(7-12)13-2/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 3-methoxy-N'-propylpyrrolidine-1-carboximidamide?
3-methoxy-N'-propylpyrrolidine-1-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).