(2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine

C13H25NO — CID 58903066

IUPAC(2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
SMILESCC1CCC(OC[C@@H]2C[C@H](C)CN2)CC1
InChIInChI=1S/C13H25NO/c1-10-3-5-13(6-4-10)15-9-12-7-11(2)8-14-12/h10-14H,3-9H2,1-2H3/t10?,11-,12-,13?/m0/s1
InChIKeySCBOKNYIVOQJQH-ZFQMDJOTSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About (2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine

(2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine (PubChem CID 58903066) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
PubChem CID58903066
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine
SMILESCC1CCC(OC[C@@H]2C[C@H](C)CN2)CC1
InChIInChI=1S/C13H25NO/c1-10-3-5-13(6-4-10)15-9-12-7-11(2)8-14-12/h10-14H,3-9H2,1-2H3/t10?,11-,12-,13?/m0/s1
InChIKeySCBOKNYIVOQJQH-ZFQMDJOTSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]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,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The IUPAC name of (2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine (CID 58903066) is (2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The canonical SMILES for (2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine is CC1CCC(OC[C@@H]2C[C@H](C)CN2)CC1.
What is the InChIKey of (2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
The InChIKey is SCBOKNYIVOQJQH-ZFQMDJOTSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-3-5-13(6-4-10)15-9-12-7-11(2)8-14-12/h10-14H,3-9H2,1-2H3/t10?,11-,12-,13?/m0/s1.
What are the key properties of (2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine?
(2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methyl-2-[(4-methylcyclohexyl)oxymethyl]pyrrolidine is sourced from PubChem (CID 58903066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).