1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine

C10H21NO2 — CID 142366745

IUPAC1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine
SMILESCOC(OC(C)(C)C)N1CCCC1
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-9(12-4)11-7-5-6-8-11/h9H,5-8H2,1-4H3
InChIKeyYIWWKHQOHZKGCW-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds3

About 1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine

1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine (PubChem CID 142366745) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine
PubChem CID142366745
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine
SMILESCOC(OC(C)(C)C)N1CCCC1
InChIInChI=1S/C10H21NO2/c1-10(2,3)13-9(12-4)11-7-5-6-8-11/h9H,5-8H2,1-4H3
InChIKeyYIWWKHQOHZKGCW-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[methoxy(pyrrolidin-1-yl)methoxy]cyclohexane-1-carboxylate
CID 123542516
methoxy(piperidin-1-yl)methanol
CID 90453688
(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 129222575
1-[(2S)-3,3-dimethylbutan-2-yl]pyrrolidine
CID 129260340
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
methoxymethane;1-propan-2-ylazepane
CID 178173420
(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 77442311
1-tert-butyl-4-methylpiperazine;1-tert-butylpyrrolidine;2-methoxy-2-methylpropane
CID 159248645
(2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol
CID 10998787
4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid
CID 106676158
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one
CID 148583764
1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one
CID 177198291

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine?
The IUPAC name of 1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine (CID 142366745) is 1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine.
What is the SMILES notation for 1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine?
The canonical SMILES for 1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine is COC(OC(C)(C)C)N1CCCC1.
What is the InChIKey of 1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine?
The InChIKey is YIWWKHQOHZKGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)13-9(12-4)11-7-5-6-8-11/h9H,5-8H2,1-4H3.
What are the key properties of 1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine?
1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidine is sourced from PubChem (CID 142366745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).