2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine

C14H29NO2 — CID 58048639

IUPAC2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine
SMILESCC(C)OCCCN1CCCC1COC(C)C
InChIInChI=1S/C14H29NO2/c1-12(2)16-10-6-9-15-8-5-7-14(15)11-17-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyPPPMFWLELVDUTG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.69
Rot. Bonds8

About 2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine

2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine (PubChem CID 58048639) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine
PubChem CID58048639
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine
SMILESCC(C)OCCCN1CCCC1COC(C)C
InChIInChI=1S/C14H29NO2/c1-12(2)16-10-6-9-15-8-5-7-14(15)11-17-13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyPPPMFWLELVDUTG-UHFFFAOYSA-N
XLogP2.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine?
The IUPAC name of 2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine (CID 58048639) is 2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine?
The canonical SMILES for 2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine is CC(C)OCCCN1CCCC1COC(C)C.
What is the InChIKey of 2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine?
The InChIKey is PPPMFWLELVDUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)16-10-6-9-15-8-5-7-14(15)11-17-13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine?
2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine has a molecular weight of 243.39 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)-1-(3-propan-2-yloxypropyl)pyrrolidine is sourced from PubChem (CID 58048639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).