(1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol

C16H31NO — CID 10491113

IUPAC(1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2C[C@@H](C)[C@H](C)C2)[C@H](O)C1
InChIInChI=1S/C16H31NO/c1-11-6-7-14(15(18)8-11)16(4,5)17-9-12(2)13(3)10-17/h11-15,18H,6-10H2,1-5H3/t11-,12-,13-,14-,15-/m1/s1
InChIKeyABXJKESWMBYDFZ-KJWHEZOQSA-N
MW253.43 g/mol
LogP3.15
Rot. Bonds2

About (1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 10491113) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is (1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID10491113
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name(1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)N2C[C@@H](C)[C@H](C)C2)[C@H](O)C1
InChIInChI=1S/C16H31NO/c1-11-6-7-14(15(18)8-11)16(4,5)17-9-12(2)13(3)10-17/h11-15,18H,6-10H2,1-5H3/t11-,12-,13-,14-,15-/m1/s1
InChIKeyABXJKESWMBYDFZ-KJWHEZOQSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.15
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
(1R,2S,5R)-5-methyl-2-[2-(2-methylpropylamino)propan-2-yl]cyclohexan-1-ol
CID 134897432
[4-[(2R)-1-methylpyrrolidin-2-yl]cyclohexyl]methanol
CID 57861252
4-Cyclohexyl-1-methylpyrrolidin-3-ol
CID 140584525
(3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol
CID 140584539
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
(3aR,4R,7aS)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-ol
CID 143653243
(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-[(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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol (CID 10491113) is (1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)N2C[C@@H](C)[C@H](C)C2)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is ABXJKESWMBYDFZ-KJWHEZOQSA-N. The full InChI is InChI=1S/C16H31NO/c1-11-6-7-14(15(18)8-11)16(4,5)17-9-12(2)13(3)10-17/h11-15,18H,6-10H2,1-5H3/t11-,12-,13-,14-,15-/m1/s1.
What are the key properties of (1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 10491113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).