3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide

C8H15N3O — CID 123840537

IUPAC3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
SMILESC=N/C(=N\C)N1CCC(OC)C1
InChIInChI=1S/C8H15N3O/c1-9-8(10-2)11-5-4-7(6-11)12-3/h7H,1,4-6H2,2-3H3/b10-8+
InChIKeyITCNWLPSGKUWHZ-CSKARUKUSA-N
MW169.23 g/mol
LogP0.39
Rot. Bonds1

About 3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide

3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide (PubChem CID 123840537) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
PubChem CID123840537
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
SMILESC=N/C(=N\C)N1CCC(OC)C1
InChIInChI=1S/C8H15N3O/c1-9-8(10-2)11-5-4-7(6-11)12-3/h7H,1,4-6H2,2-3H3/b10-8+
InChIKeyITCNWLPSGKUWHZ-CSKARUKUSA-N
XLogP0.39
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.39
H-Bond Donors ≤ 50
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
N,3-dibutyl-5-methyl-1,3-oxazolidin-2-imine
CID 13514404
(3-Ethyl-5-methyl-1,3-oxazolidin-2-ylidene)-dimethylazanium
CID 23261329
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534593
N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide
CID 103534594
3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534595
N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534596
N'-ethyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534599
3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103534600
3-Methoxypyrrolidine-1-carboximidamide
CID 103534603

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide?
The IUPAC name of 3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide (CID 123840537) is 3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide?
The canonical SMILES for 3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide is C=N/C(=N\C)N1CCC(OC)C1.
What is the InChIKey of 3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide?
The InChIKey is ITCNWLPSGKUWHZ-CSKARUKUSA-N. The full InChI is InChI=1S/C8H15N3O/c1-9-8(10-2)11-5-4-7(6-11)12-3/h7H,1,4-6H2,2-3H3/b10-8+.
What are the key properties of 3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide?
3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide has a molecular weight of 169.23 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide is sourced from PubChem (CID 123840537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).