(2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol

C21H39NO2 — CID 124904883

IUPAC(2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol
SMILESCN(C[C@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1
InChIInChI=1S/C21H39NO2/c1-20(2)16-10-12-21(20,3)19(14-16)24-13-11-18(23)15-22(4)17-8-6-5-7-9-17/h16-19,23H,5-15H2,1-4H3/t16-,18-,19-,21-/m1/s1
InChIKeyRSPXLQCWKIXQLM-XLBJILASSA-N
MW337.55 g/mol
LogP4.23
Rot. Bonds7

About (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol

(2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol (PubChem CID 124904883) has the molecular formula C21H39NO2 and a molecular weight of 337.55 g/mol. Its IUPAC name is (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol
PubChem CID124904883
Molecular FormulaC21H39NO2
Molecular Weight337.55 g/mol
Exact Mass337.30
IUPAC Name(2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol
SMILESCN(C[C@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1
InChIInChI=1S/C21H39NO2/c1-20(2)16-10-12-21(20,3)19(14-16)24-13-11-18(23)15-22(4)17-8-6-5-7-9-17/h16-19,23H,5-15H2,1-4H3/t16-,18-,19-,21-/m1/s1
InChIKeyRSPXLQCWKIXQLM-XLBJILASSA-N
XLogP4.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-(dipropylamino)-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol
CID 124904826
(2R)-1-(azepan-1-yl)-4-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol
CID 100895539
(2S)-1-[benzyl(2-hydroxyethyl)amino]-4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol
CID 124904893
1-[(2S)-2-hydroxy-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 124904870
(2S)-1-morpholin-4-yl-4-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol
CID 98587940
1-methoxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
CID 107508438
(2R)-1-piperidin-1-ium-1-yl-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 23309528
(2R)-1-[di(propan-2-yl)amino]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 98184716
(2R)-1-(diethylamino)-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124760102
1-(4-benzylpiperazin-1-yl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]butan-2-ol
CID 56724982
(2R)-1-(4-phenylpiperazin-1-yl)-4-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol
CID 100895574
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol?
The IUPAC name of (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol (CID 124904883) is (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol.
What is the SMILES notation for (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol?
The canonical SMILES for (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol is CN(C[C@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1.
What is the InChIKey of (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol?
The InChIKey is RSPXLQCWKIXQLM-XLBJILASSA-N. The full InChI is InChI=1S/C21H39NO2/c1-20(2)16-10-12-21(20,3)19(14-16)24-13-11-18(23)15-22(4)17-8-6-5-7-9-17/h16-19,23H,5-15H2,1-4H3/t16-,18-,19-,21-/m1/s1.
What are the key properties of (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol?
(2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol has a molecular weight of 337.55 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[cyclohexyl(methyl)amino]-4-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]butan-2-ol is sourced from PubChem (CID 124904883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).