1-(4,4-dimethylpentyl)-3-methoxypyrrolidine

C12H25NO — CID 59751861

IUPAC1-(4,4-dimethylpentyl)-3-methoxypyrrolidine
SMILESCOC1CCN(CCCC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-12(2,3)7-5-8-13-9-6-11(10-13)14-4/h11H,5-10H2,1-4H3
InChIKeyMPVBSYNIOWJPBC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds4

About 1-(4,4-dimethylpentyl)-3-methoxypyrrolidine

1-(4,4-dimethylpentyl)-3-methoxypyrrolidine (PubChem CID 59751861) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-3-methoxypyrrolidine
PubChem CID59751861
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(4,4-dimethylpentyl)-3-methoxypyrrolidine
SMILESCOC1CCN(CCCC(C)(C)C)C1
InChIInChI=1S/C12H25NO/c1-12(2,3)7-5-8-13-9-6-11(10-13)14-4/h11H,5-10H2,1-4H3
InChIKeyMPVBSYNIOWJPBC-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 1-(4,4-dimethylpentyl)-3-methoxypyrrolidine?
The IUPAC name of 1-(4,4-dimethylpentyl)-3-methoxypyrrolidine (CID 59751861) is 1-(4,4-dimethylpentyl)-3-methoxypyrrolidine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-3-methoxypyrrolidine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-3-methoxypyrrolidine is COC1CCN(CCCC(C)(C)C)C1.
What is the InChIKey of 1-(4,4-dimethylpentyl)-3-methoxypyrrolidine?
The InChIKey is MPVBSYNIOWJPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)7-5-8-13-9-6-11(10-13)14-4/h11H,5-10H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentyl)-3-methoxypyrrolidine?
1-(4,4-dimethylpentyl)-3-methoxypyrrolidine 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 1-(4,4-dimethylpentyl)-3-methoxypyrrolidine is sourced from PubChem (CID 59751861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).