1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine

C19H37NO — CID 4869990

IUPAC1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine
SMILESCC(C)CCC(CCN1CCCC1)C1CCOC(C)(C)C1
InChIInChI=1S/C19H37NO/c1-16(2)7-8-17(9-13-20-11-5-6-12-20)18-10-14-21-19(3,4)15-18/h16-18H,5-15H2,1-4H3
InChIKeyOELYOMNCNGHMHR-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.73
Rot. Bonds7

About 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine

1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine (PubChem CID 4869990) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine
PubChem CID4869990
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine
SMILESCC(C)CCC(CCN1CCCC1)C1CCOC(C)(C)C1
InChIInChI=1S/C19H37NO/c1-16(2)7-8-17(9-13-20-11-5-6-12-20)18-10-14-21-19(3,4)15-18/h16-18H,5-15H2,1-4H3
InChIKeyOELYOMNCNGHMHR-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine?
The IUPAC name of 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine (CID 4869990) is 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine.
What is the SMILES notation for 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine?
The canonical SMILES for 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine is CC(C)CCC(CCN1CCCC1)C1CCOC(C)(C)C1.
What is the InChIKey of 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine?
The InChIKey is OELYOMNCNGHMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-16(2)7-8-17(9-13-20-11-5-6-12-20)18-10-14-21-19(3,4)15-18/h16-18H,5-15H2,1-4H3.
What are the key properties of 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine?
1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine has a molecular weight of 295.51 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]pyrrolidine is sourced from PubChem (CID 4869990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).