(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine

C15H23N — CID 125450470

IUPAC(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
SMILESCCC1(CC)CNC[C@H]1c1cccc(C)c1
InChIInChI=1S/C15H23N/c1-4-15(5-2)11-16-10-14(15)13-8-6-7-12(3)9-13/h6-9,14,16H,4-5,10-11H2,1-3H3/t14-/m0/s1
InChIKeyMTTJRNDOIOGCRJ-AWEZNQCLSA-N
MW217.36 g/mol
LogP3.49
Rot. Bonds3

About (4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine

(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine (PubChem CID 125450470) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
PubChem CID125450470
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
SMILESCCC1(CC)CNC[C@H]1c1cccc(C)c1
InChIInChI=1S/C15H23N/c1-4-15(5-2)11-16-10-14(15)13-8-6-7-12(3)9-13/h6-9,14,16H,4-5,10-11H2,1-3H3/t14-/m0/s1
InChIKeyMTTJRNDOIOGCRJ-AWEZNQCLSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine?
The IUPAC name of (4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine (CID 125450470) is (4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for (4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine?
The canonical SMILES for (4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine is CCC1(CC)CNC[C@H]1c1cccc(C)c1.
What is the InChIKey of (4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine?
The InChIKey is MTTJRNDOIOGCRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N/c1-4-15(5-2)11-16-10-14(15)13-8-6-7-12(3)9-13/h6-9,14,16H,4-5,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine?
(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 125450470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).