(3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine

C15H31NO — CID 170062284

IUPAC(3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine
SMILESCC(C)CCCO[C@@H]1CCN(C(C)C(C)C)C1
InChIInChI=1S/C15H31NO/c1-12(2)7-6-10-17-15-8-9-16(11-15)14(5)13(3)4/h12-15H,6-11H2,1-5H3/t14?,15-/m1/s1
InChIKeyFFUBQIVKDDVEBU-YSSOQSIOSA-N
MW241.42 g/mol
LogP3.56
Rot. Bonds7

About (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine

(3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine (PubChem CID 170062284) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine
PubChem CID170062284
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine
SMILESCC(C)CCCO[C@@H]1CCN(C(C)C(C)C)C1
InChIInChI=1S/C15H31NO/c1-12(2)7-6-10-17-15-8-9-16(11-15)14(5)13(3)4/h12-15H,6-11H2,1-5H3/t14?,15-/m1/s1
InChIKeyFFUBQIVKDDVEBU-YSSOQSIOSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine?
The IUPAC name of (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine (CID 170062284) is (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine.
What is the SMILES notation for (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine?
The canonical SMILES for (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine is CC(C)CCCO[C@@H]1CCN(C(C)C(C)C)C1.
What is the InChIKey of (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine?
The InChIKey is FFUBQIVKDDVEBU-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)7-6-10-17-15-8-9-16(11-15)14(5)13(3)4/h12-15H,6-11H2,1-5H3/t14?,15-/m1/s1.
What are the key properties of (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine?
(3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine has a molecular weight of 241.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methylbutan-2-yl)-3-(4-methylpentoxy)pyrrolidine is sourced from PubChem (CID 170062284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).