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

C17H33NO — CID 10635556

IUPAC(1R,2S,5R)-5-methyl-2-[2-[(3S)-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)C1
InChIInChI=1S/C17H33NO/c1-12(2)14-8-9-18(11-14)17(4,5)15-7-6-13(3)10-16(15)19/h12-16,19H,6-11H2,1-5H3/t13-,14-,15-,16-/m1/s1
InChIKeyNZDPWIQZCFGJOT-KLHDSHLOSA-N
MW267.46 g/mol
LogP3.54
Rot. Bonds3

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

(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 10635556) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID10635556
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[(3S)-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)C1
InChIInChI=1S/C17H33NO/c1-12(2)14-8-9-18(11-14)17(4,5)15-7-6-13(3)10-16(15)19/h12-16,19H,6-11H2,1-5H3/t13-,14-,15-,16-/m1/s1
InChIKeyNZDPWIQZCFGJOT-KLHDSHLOSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
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
(4-Propan-2-ylcyclohexyl)-pyrrolidin-1-ylmethanol
CID 170196110
(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)-2-[2-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10682324
tert-butyl-dimethyl-[(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexyl]oxysilane
CID 10714898
(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-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol (CID 10635556) is (1R,2S,5R)-5-methyl-2-[2-[(3S)-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-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-[(3S)-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)C1.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is NZDPWIQZCFGJOT-KLHDSHLOSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)14-8-9-18(11-14)17(4,5)15-7-6-13(3)10-16(15)19/h12-16,19H,6-11H2,1-5H3/t13-,14-,15-,16-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.54, 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-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10635556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).