(3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol

C14H27NO — CID 67953167

IUPAC(3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol
SMILESCC(C)(C)C1C[C@@H](O)CN1C1CCCCC1
InChIInChI=1S/C14H27NO/c1-14(2,3)13-9-12(16)10-15(13)11-7-5-4-6-8-11/h11-13,16H,4-10H2,1-3H3/t12-,13?/m1/s1
InChIKeyJHPCQOMAHDLMOE-PZORYLMUSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds1

About (3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol

(3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol (PubChem CID 67953167) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol
PubChem CID67953167
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol
SMILESCC(C)(C)C1C[C@@H](O)CN1C1CCCCC1
InChIInChI=1S/C14H27NO/c1-14(2,3)13-9-12(16)10-15(13)11-7-5-4-6-8-11/h11-13,16H,4-10H2,1-3H3/t12-,13?/m1/s1
InChIKeyJHPCQOMAHDLMOE-PZORYLMUSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol?
The IUPAC name of (3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol (CID 67953167) is (3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol?
The canonical SMILES for (3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol is CC(C)(C)C1C[C@@H](O)CN1C1CCCCC1.
What is the InChIKey of (3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol?
The InChIKey is JHPCQOMAHDLMOE-PZORYLMUSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2,3)13-9-12(16)10-15(13)11-7-5-4-6-8-11/h11-13,16H,4-10H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of (3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol?
(3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-tert-butyl-1-cyclohexylpyrrolidin-3-ol is sourced from PubChem (CID 67953167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).