4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol

C15H29NO — CID 141395911

IUPAC4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol
SMILESC[C@@H]1[C@@H](C2CCC(O)CC2)CCN1C(C)(C)C
InChIInChI=1S/C15H29NO/c1-11-14(9-10-16(11)15(2,3)4)12-5-7-13(17)8-6-12/h11-14,17H,5-10H2,1-4H3/t11-,12?,13?,14+/m1/s1
InChIKeyURXOMZVVVPCHNI-RYSNWHEDSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds1

About 4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol

4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol (PubChem CID 141395911) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol
PubChem CID141395911
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol
SMILESC[C@@H]1[C@@H](C2CCC(O)CC2)CCN1C(C)(C)C
InChIInChI=1S/C15H29NO/c1-11-14(9-10-16(11)15(2,3)4)12-5-7-13(17)8-6-12/h11-14,17H,5-10H2,1-4H3/t11-,12?,13?,14+/m1/s1
InChIKeyURXOMZVVVPCHNI-RYSNWHEDSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol?
The IUPAC name of 4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol (CID 141395911) is 4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol is C[C@@H]1[C@@H](C2CCC(O)CC2)CCN1C(C)(C)C.
What is the InChIKey of 4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol?
The InChIKey is URXOMZVVVPCHNI-RYSNWHEDSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-14(9-10-16(11)15(2,3)4)12-5-7-13(17)8-6-12/h11-14,17H,5-10H2,1-4H3/t11-,12?,13?,14+/m1/s1.
What are the key properties of 4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol?
4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol is sourced from PubChem (CID 141395911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).