(2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine

C13H27NO — CID 126634816

IUPAC(2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine
SMILESCC(C)(C)CC(C)(C)OC[C@@H]1CCCN1
InChIInChI=1S/C13H27NO/c1-12(2,3)10-13(4,5)15-9-11-7-6-8-14-11/h11,14H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyWUCDZVOSUBUASF-NSHDSACASA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds4

About (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine

(2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine (PubChem CID 126634816) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine
PubChem CID126634816
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine
SMILESCC(C)(C)CC(C)(C)OC[C@@H]1CCCN1
InChIInChI=1S/C13H27NO/c1-12(2,3)10-13(4,5)15-9-11-7-6-8-14-11/h11,14H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyWUCDZVOSUBUASF-NSHDSACASA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)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 (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine (CID 126634816) is (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine is CC(C)(C)CC(C)(C)OC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine?
The InChIKey is WUCDZVOSUBUASF-NSHDSACASA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)10-13(4,5)15-9-11-7-6-8-14-11/h11,14H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine?
(2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4,4-trimethylpentan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 126634816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).