2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine

C12H25NO — CID 58778719

IUPAC2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCOCC1CCC(C(C)C)N1C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)12-7-6-11(8-14-5)13(12)10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyDAMJBYIGXXLZPM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds4

About 2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine

2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine (PubChem CID 58778719) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
PubChem CID58778719
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCOCC1CCC(C(C)C)N1C(C)C
InChIInChI=1S/C12H25NO/c1-9(2)12-7-6-11(8-14-5)13(12)10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyDAMJBYIGXXLZPM-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
The IUPAC name of 2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine (CID 58778719) is 2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine is COCC1CCC(C(C)C)N1C(C)C.
What is the InChIKey of 2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
The InChIKey is DAMJBYIGXXLZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)12-7-6-11(8-14-5)13(12)10(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58778719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).