(1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol

C18H35NO — CID 11323509

IUPAC(1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)[C@@H]1CCN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)[C@H]1C
InChIInChI=1S/C18H35NO/c1-12(2)15-9-10-19(14(15)4)18(5,6)16-8-7-13(3)11-17(16)20/h12-17,20H,7-11H2,1-6H3/t13-,14+,15+,16-,17-/m1/s1
InChIKeyURODOLZQRHVNMH-DRRXZNNHSA-N
MW281.48 g/mol
LogP3.93
Rot. Bonds3

About (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 11323509) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID11323509
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)[C@@H]1CCN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)[C@H]1C
InChIInChI=1S/C18H35NO/c1-12(2)15-9-10-19(14(15)4)18(5,6)16-8-7-13(3)11-17(16)20/h12-17,20H,7-11H2,1-6H3/t13-,14+,15+,16-,17-/m1/s1
InChIKeyURODOLZQRHVNMH-DRRXZNNHSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

Cyclohexanol, 4-(1,1-dimethylethyl)-2-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-
CID 63488055
[4-[(2R)-1-methylpyrrolidin-2-yl]cyclohexyl]methanol
CID 57861252
4-[(2S,3S)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol
CID 141395907
4-[(2R,3R)-1-tert-butyl-2-methylpyrrolidin-3-yl]cyclohexan-1-ol
CID 141395911
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;methyl(trioctyl)azanium;chloride
CID 175356300
(1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10491113
(1R,2S,5R)-2-[2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10586997
(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
CID 10635556
(1R,2S,5R)-2-[2-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10682324
(1R,2S,5R)-2-[2-[(3R)-3-ethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10729577
(1R,2S,5R)-2-[2-[(3R,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10800889
(1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
CID 10897083

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol (CID 11323509) is (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol is CC(C)[C@@H]1CCN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)[C@H]1C.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is URODOLZQRHVNMH-DRRXZNNHSA-N. The full InChI is InChI=1S/C18H35NO/c1-12(2)15-9-10-19(14(15)4)18(5,6)16-8-7-13(3)11-17(16)20/h12-17,20H,7-11H2,1-6H3/t13-,14+,15+,16-,17-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 281.48 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 11323509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).