(1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol

C24H39NOSe — CID 10789068

IUPAC(1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)=C[C@H](C)N(CC[Se]c1ccccc1)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C24H39NOSe/c1-18(2)16-20(4)25(14-15-27-21-10-8-7-9-11-21)24(5,6)22-13-12-19(3)17-23(22)26/h7-11,16,19-20,22-23,26H,12-15,17H2,1-6H3/t19-,20+,22-,23-/m1/s1
InChIKeyJJOKIUAKCINHLM-IRMYBRCSSA-N
MW436.54 g/mol
LogP4.67
Rot. Bonds8

About (1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol (PubChem CID 10789068) has the molecular formula C24H39NOSe and a molecular weight of 436.54 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol
PubChem CID10789068
Molecular FormulaC24H39NOSe
Molecular Weight436.54 g/mol
Exact Mass437.22
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)=C[C@H](C)N(CC[Se]c1ccccc1)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C24H39NOSe/c1-18(2)16-20(4)25(14-15-27-21-10-8-7-9-11-21)24(5,6)22-13-12-19(3)17-23(22)26/h7-11,16,19-20,22-23,26H,12-15,17H2,1-6H3/t19-,20+,22-,23-/m1/s1
InChIKeyJJOKIUAKCINHLM-IRMYBRCSSA-N
XLogP4.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 54290606
2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol
CID 344209
(1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol
CID 11565162
2-[2-(2,5-Difluorophenyl)-1-(dimethylamino)ethyl]cyclohexan-1-ol
CID 145776986
2-(Dimethylaminophenylmethyl)cyclohexanol
CID 11264796
(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol
CID 134913481
(1S,2R,5S)-5-methyl-2-[2-[(1R)-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl]cyclohexan-1-ol
CID 134913482
2-[2-[[Dideuterio(phenyl)methyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol
CID 134970461
(1R,2S,5R)-2-[2-[benzyl-[(2S)-2-hydroxy-3-methyl-2-(trifluoromethyl)butyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11509906
(1R,2S,5R)-2-[2-[benzyl-[(2S)-2-hydroxy-2-(trifluoromethyl)butyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11545833
(1R,2S,5R)-2-[2-[benzyl-[(2S)-2-hydroxy-2-(trifluoromethyl)hexyl]amino]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11597148

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol (CID 10789068) is (1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol is CC(C)=C[C@H](C)N(CC[Se]c1ccccc1)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol?
The InChIKey is JJOKIUAKCINHLM-IRMYBRCSSA-N. The full InChI is InChI=1S/C24H39NOSe/c1-18(2)16-20(4)25(14-15-27-21-10-8-7-9-11-21)24(5,6)22-13-12-19(3)17-23(22)26/h7-11,16,19-20,22-23,26H,12-15,17H2,1-6H3/t19-,20+,22-,23-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-[[(2S)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol has a molecular weight of 436.54 g/mol, XLogP of 4.67, 8 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)-4-methylpent-3-en-2-yl]-(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10789068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).