(4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine

C14H27N — CID 167547776

IUPAC(4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1C[C@H](CCC2CCC2)CN1C
InChIInChI=1S/C14H27N/c1-11(2)14-9-13(10-15(14)3)8-7-12-5-4-6-12/h11-14H,4-10H2,1-3H3/t13-,14?/m0/s1
InChIKeyDRXVHOUYJZVQSL-LSLKUGRBSA-N
MW209.38 g/mol
LogP3.54
Rot. Bonds4

About (4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine

(4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine (PubChem CID 167547776) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine
PubChem CID167547776
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1C[C@H](CCC2CCC2)CN1C
InChIInChI=1S/C14H27N/c1-11(2)14-9-13(10-15(14)3)8-7-12-5-4-6-12/h11-14H,4-10H2,1-3H3/t13-,14?/m0/s1
InChIKeyDRXVHOUYJZVQSL-LSLKUGRBSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine?
The IUPAC name of (4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine (CID 167547776) is (4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for (4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for (4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine is CC(C)C1C[C@H](CCC2CCC2)CN1C.
What is the InChIKey of (4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine?
The InChIKey is DRXVHOUYJZVQSL-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H27N/c1-11(2)14-9-13(10-15(14)3)8-7-12-5-4-6-12/h11-14H,4-10H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of (4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine?
(4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 167547776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).