1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine

C13H25N — CID 66694576

IUPAC1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine
SMILESC[C@@H]1CC[C@@](C)(N2CCCC2)C[C@@H]1C
InChIInChI=1S/C13H25N/c1-11-6-7-13(3,10-12(11)2)14-8-4-5-9-14/h11-12H,4-10H2,1-3H3/t11-,12+,13-/m1/s1
InChIKeySVHYUMUECAJEMV-FRRDWIJNSA-N
MW195.35 g/mol
LogP3.30
Rot. Bonds1

About 1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine

1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine (PubChem CID 66694576) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine
PubChem CID66694576
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine
SMILESC[C@@H]1CC[C@@](C)(N2CCCC2)C[C@@H]1C
InChIInChI=1S/C13H25N/c1-11-6-7-13(3,10-12(11)2)14-8-4-5-9-14/h11-12H,4-10H2,1-3H3/t11-,12+,13-/m1/s1
InChIKeySVHYUMUECAJEMV-FRRDWIJNSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine?
The IUPAC name of 1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine (CID 66694576) is 1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine.
What is the SMILES notation for 1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine?
The canonical SMILES for 1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine is C[C@@H]1CC[C@@](C)(N2CCCC2)C[C@@H]1C.
What is the InChIKey of 1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine?
The InChIKey is SVHYUMUECAJEMV-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H25N/c1-11-6-7-13(3,10-12(11)2)14-8-4-5-9-14/h11-12H,4-10H2,1-3H3/t11-,12+,13-/m1/s1.
What are the key properties of 1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine?
1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine has a molecular weight of 195.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine is sourced from PubChem (CID 66694576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).