(1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol

C30H61NOSn — CID 10897083

IUPAC(1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)C[C@@H]1C(C)C
InChIInChI=1S/C18H34NO.3C4H9.Sn/c1-12(2)15-11-19(10-14(15)4)18(5,6)16-8-7-13(3)9-17(16)20;3*1-3-4-2;/h12-17,20H,4,7-11H2,1-3,5-6H3;3*1,3-4H2,2H3;/t13-,14+,15-,16-,17-;;;;/m1..../s1
InChIKeyICCVRGLXIMOJFM-NIRKYYDASA-N
MW570.54 g/mol
LogP8.62
Rot. Bonds14

About (1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol (PubChem CID 10897083) has the molecular formula C30H61NOSn and a molecular weight of 570.54 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
PubChem CID10897083
Molecular FormulaC30H61NOSn
Molecular Weight570.54 g/mol
Exact Mass571.38
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)C[C@@H]1C(C)C
InChIInChI=1S/C18H34NO.3C4H9.Sn/c1-12(2)15-11-19(10-14(15)4)18(5,6)16-8-7-13(3)9-17(16)20;3*1-3-4-2;/h12-17,20H,4,7-11H2,1-3,5-6H3;3*1,3-4H2,2H3;/t13-,14+,15-,16-,17-;;;;/m1..../s1
InChIKeyICCVRGLXIMOJFM-NIRKYYDASA-N
XLogP8.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.54
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol with MolForge

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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
(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)-2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.2.0]heptan-3-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11076817
(1R,2S,5R)-2-[2-[(3S,4S)-3-ethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11220108

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (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) is (1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol is CCCC[Sn](CCCC)(CCCC)C[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)C[C@@H]1C(C)C.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
The InChIKey is ICCVRGLXIMOJFM-NIRKYYDASA-N. The full InChI is InChI=1S/C18H34NO.3C4H9.Sn/c1-12(2)15-11-19(10-14(15)4)18(5,6)16-8-7-13(3)9-17(16)20;3*1-3-4-2;/h12-17,20H,4,7-11H2,1-3,5-6H3;3*1,3-4H2,2H3;/t13-,14+,15-,16-,17-;;;;/m1..../s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol has a molecular weight of 570.54 g/mol, XLogP of 8.62, 14 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-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10897083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).