3-(methoxymethyl)pyrrolidine-1-carboximidamide

C7H15N3O — CID 64597128

IUPAC3-(methoxymethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(COC)C1
InChIInChI=1S/C7H15N3O/c1-11-5-6-2-3-10(4-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
InChIKeySTFGXVOTXYAVIR-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.15
Rot. Bonds2

About 3-(methoxymethyl)pyrrolidine-1-carboximidamide

3-(methoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 64597128) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-(methoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(methoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID64597128
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-(methoxymethyl)pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(COC)C1
InChIInChI=1S/C7H15N3O/c1-11-5-6-2-3-10(4-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)
InChIKeySTFGXVOTXYAVIR-UHFFFAOYSA-N
XLogP-0.15
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
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

3-(Methoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 121202692
3-(Ethoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 121202701
(3S,4R)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129500611
(3S,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129500612
(3R,4S)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129500613
(3R,4R)-3-(ethoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129500614
(3S,4S)-3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129501729
(3R,4S)-3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129501730
(3R,4R)-3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129501731
(3S,4R)-3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidine-1-carboximidamide
CID 129501732
2-Methoxypyrrolidine-1-carboximidamide
CID 54018116
1-[3-(Methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 64581226

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(methoxymethyl)pyrrolidine-1-carboximidamide (CID 64597128) is 3-(methoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(methoxymethyl)pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCC(COC)C1.
What is the InChIKey of 3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is STFGXVOTXYAVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-11-5-6-2-3-10(4-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9).
What are the key properties of 3-(methoxymethyl)pyrrolidine-1-carboximidamide?
3-(methoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 64597128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).