1-methyl-2-octan-4-ylpyrrolidine

C13H27N — CID 167172274

IUPAC1-methyl-2-octan-4-ylpyrrolidine
SMILESCCCCC(CCC)C1CCCN1C
InChIInChI=1S/C13H27N/c1-4-6-9-12(8-5-2)13-10-7-11-14(13)3/h12-13H,4-11H2,1-3H3
InChIKeyMMRYCOXPNBLRFL-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds6

About 1-methyl-2-octan-4-ylpyrrolidine

1-methyl-2-octan-4-ylpyrrolidine (PubChem CID 167172274) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-methyl-2-octan-4-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-2-octan-4-ylpyrrolidine
PubChem CID167172274
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-methyl-2-octan-4-ylpyrrolidine
SMILESCCCCC(CCC)C1CCCN1C
InChIInChI=1S/C13H27N/c1-4-6-9-12(8-5-2)13-10-7-11-14(13)3/h12-13H,4-11H2,1-3H3
InChIKeyMMRYCOXPNBLRFL-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-octan-4-ylpyrrolidine?
The IUPAC name of 1-methyl-2-octan-4-ylpyrrolidine (CID 167172274) is 1-methyl-2-octan-4-ylpyrrolidine.
What is the SMILES notation for 1-methyl-2-octan-4-ylpyrrolidine?
The canonical SMILES for 1-methyl-2-octan-4-ylpyrrolidine is CCCCC(CCC)C1CCCN1C.
What is the InChIKey of 1-methyl-2-octan-4-ylpyrrolidine?
The InChIKey is MMRYCOXPNBLRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-6-9-12(8-5-2)13-10-7-11-14(13)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-methyl-2-octan-4-ylpyrrolidine?
1-methyl-2-octan-4-ylpyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-octan-4-ylpyrrolidine is sourced from PubChem (CID 167172274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).