1-methanidyl-3-(methoxymethyl)pyrrolidine

C7H14NO- — CID 59130849

IUPAC1-methanidyl-3-(methoxymethyl)pyrrolidine
SMILES[CH2-]N1CCC(COC)C1
InChIInChI=1S/C7H14NO/c1-8-4-3-7(5-8)6-9-2/h7H,1,3-6H2,2H3/q-1
InChIKeyNHWCKVLUOLMFOF-UHFFFAOYSA-N
MW128.19 g/mol
LogP0.75
Rot. Bonds2

About 1-methanidyl-3-(methoxymethyl)pyrrolidine

1-methanidyl-3-(methoxymethyl)pyrrolidine (PubChem CID 59130849) has the molecular formula C7H14NO- and a molecular weight of 128.19 g/mol. Its IUPAC name is 1-methanidyl-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-methanidyl-3-(methoxymethyl)pyrrolidine
PubChem CID59130849
Molecular FormulaC7H14NO-
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name1-methanidyl-3-(methoxymethyl)pyrrolidine
SMILES[CH2-]N1CCC(COC)C1
InChIInChI=1S/C7H14NO/c1-8-4-3-7(5-8)6-9-2/h7H,1,3-6H2,2H3/q-1
InChIKeyNHWCKVLUOLMFOF-UHFFFAOYSA-N
XLogP0.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-3-(methoxymethyl)pyrrolidine
CID 174152507
1-iodo-3-(methoxymethyl)pyrrolidine
CID 177173245
1-cyclobutyl-4-(methoxymethyl)piperidine
CID 131107152
1-cyclopentyl-4-(methoxymethyl)piperidine;ethane
CID 156885673
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
4-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64705792
1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899769
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
4-[4-(methoxymethyl)piperidin-1-yl]cyclohexan-1-amine
CID 63973090
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-(4-chlorobut-2-enyl)-3-(methoxymethyl)pyrrolidine
CID 77051532

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-3-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-methanidyl-3-(methoxymethyl)pyrrolidine (CID 59130849) is 1-methanidyl-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-methanidyl-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-methanidyl-3-(methoxymethyl)pyrrolidine is [CH2-]N1CCC(COC)C1.
What is the InChIKey of 1-methanidyl-3-(methoxymethyl)pyrrolidine?
The InChIKey is NHWCKVLUOLMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO/c1-8-4-3-7(5-8)6-9-2/h7H,1,3-6H2,2H3/q-1.
What are the key properties of 1-methanidyl-3-(methoxymethyl)pyrrolidine?
1-methanidyl-3-(methoxymethyl)pyrrolidine has a molecular weight of 128.19 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 59130849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).