3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide

C10H21N3O — CID 103534593

IUPAC3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/CC(C)C)C1
InChIInChI=1S/C10H21N3O/c1-8(2)6-12-10(11)13-5-4-9(7-13)14-3/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyOWOPIKHXYMDBIO-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.68
Rot. Bonds3

About 3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide

3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide (PubChem CID 103534593) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
PubChem CID103534593
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCOC1CCN(/C(N)=N/CC(C)C)C1
InChIInChI=1S/C10H21N3O/c1-8(2)6-12-10(11)13-5-4-9(7-13)14-3/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyOWOPIKHXYMDBIO-UHFFFAOYSA-N
XLogP0.68
TPSA50.85 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 ≤ 50.68
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
1-(2-Methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine
CID 62360615
1-(2-Methoxyethyl)-1,2-bis(2-methylpropyl)guanidine
CID 62361466
1-(2-Methoxyethyl)-1-(3-methoxypropyl)-2-(2-methylpropyl)guanidine
CID 62362574
2-ethyl-N'-(2-methylpropyl)morpholine-4-carboximidamide
CID 62364086
2-Ethyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine
CID 62364785
1-(2-Methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
CID 62364786
2-methyl-N'-(2-methylpropyl)-1,4-oxazepane-4-carboximidamide
CID 62972079

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide (CID 103534593) is 3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide is COC1CCN(/C(N)=N/CC(C)C)C1.
What is the InChIKey of 3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
The InChIKey is OWOPIKHXYMDBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)6-12-10(11)13-5-4-9(7-13)14-3/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide?
3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).