2-methyl-1-pentylpyrrolidine

C10H21N — CID 54438045

IUPAC2-methyl-1-pentylpyrrolidine
SMILESCCCCCN1CCCC1C
InChIInChI=1S/C10H21N/c1-3-4-5-8-11-9-6-7-10(11)2/h10H,3-9H2,1-2H3
InChIKeyWMCRSGLJMNXTHQ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-1-pentylpyrrolidine

2-methyl-1-pentylpyrrolidine (PubChem CID 54438045) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-methyl-1-pentylpyrrolidine.

Molecular Properties

Compound Name2-methyl-1-pentylpyrrolidine
PubChem CID54438045
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-methyl-1-pentylpyrrolidine
SMILESCCCCCN1CCCC1C
InChIInChI=1S/C10H21N/c1-3-4-5-8-11-9-6-7-10(11)2/h10H,3-9H2,1-2H3
InChIKeyWMCRSGLJMNXTHQ-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentylpyrrolidine?
The IUPAC name of 2-methyl-1-pentylpyrrolidine (CID 54438045) is 2-methyl-1-pentylpyrrolidine.
What is the SMILES notation for 2-methyl-1-pentylpyrrolidine?
The canonical SMILES for 2-methyl-1-pentylpyrrolidine is CCCCCN1CCCC1C.
What is the InChIKey of 2-methyl-1-pentylpyrrolidine?
The InChIKey is WMCRSGLJMNXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-4-5-8-11-9-6-7-10(11)2/h10H,3-9H2,1-2H3.
What are the key properties of 2-methyl-1-pentylpyrrolidine?
2-methyl-1-pentylpyrrolidine has a molecular weight of 155.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentylpyrrolidine is sourced from PubChem (CID 54438045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).