2-butyl-1-methylpyrrolidine

C9H19N — CID 558513

IUPAC2-butyl-1-methylpyrrolidine
SMILESCCCCC1CCCN1C
InChIInChI=1S/C9H19N/c1-3-4-6-9-7-5-8-10(9)2/h9H,3-8H2,1-2H3
InChIKeyPWVDAYXZBXAOSA-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.27
Rot. Bonds3

About 2-butyl-1-methylpyrrolidine

2-butyl-1-methylpyrrolidine (PubChem CID 558513) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 2-butyl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-butyl-1-methylpyrrolidine
PubChem CID558513
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name2-butyl-1-methylpyrrolidine
SMILESCCCCC1CCCN1C
InChIInChI=1S/C9H19N/c1-3-4-6-9-7-5-8-10(9)2/h9H,3-8H2,1-2H3
InChIKeyPWVDAYXZBXAOSA-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylpyrrolidine?
The IUPAC name of 2-butyl-1-methylpyrrolidine (CID 558513) is 2-butyl-1-methylpyrrolidine.
What is the SMILES notation for 2-butyl-1-methylpyrrolidine?
The canonical SMILES for 2-butyl-1-methylpyrrolidine is CCCCC1CCCN1C.
What is the InChIKey of 2-butyl-1-methylpyrrolidine?
The InChIKey is PWVDAYXZBXAOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-4-6-9-7-5-8-10(9)2/h9H,3-8H2,1-2H3.
What are the key properties of 2-butyl-1-methylpyrrolidine?
2-butyl-1-methylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylpyrrolidine is sourced from PubChem (CID 558513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).