(1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol

C23H37NOSe — CID 10502346

IUPAC(1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)=CCN(CC[Se]c1ccccc1)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C23H37NOSe/c1-18(2)13-14-24(15-16-26-20-9-7-6-8-10-20)23(4,5)21-12-11-19(3)17-22(21)25/h6-10,13,19,21-22,25H,11-12,14-17H2,1-5H3/t19-,21-,22-/m1/s1
InChIKeyMHHYDMPKVXVMSA-CEMLEFRQSA-N
MW422.52 g/mol
LogP4.28
Rot. Bonds8

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

(1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol (PubChem CID 10502346) has the molecular formula C23H37NOSe and a molecular weight of 422.52 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol
PubChem CID10502346
Molecular FormulaC23H37NOSe
Molecular Weight422.52 g/mol
Exact Mass423.20
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol
SMILESCC(C)=CCN(CC[Se]c1ccccc1)C(C)(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIInChI=1S/C23H37NOSe/c1-18(2)13-14-24(15-16-26-20-9-7-6-8-10-20)23(4,5)21-12-11-19(3)17-22(21)25/h6-10,13,19,21-22,25H,11-12,14-17H2,1-5H3/t19-,21-,22-/m1/s1
InChIKeyMHHYDMPKVXVMSA-CEMLEFRQSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.52
LogP ≤ 54.28
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'}

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Related Compounds

trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
(1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol
CID 118711887
Mepiperphenidol
CID 10620
cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 54290606
(1R,2R,5R)-2-[(2R)-1-(4-benzylpiperidin-1-yl)-2-hydroxypropan-2-yl]-5-methylcyclohexan-1-ol
CID 172447545
(1S,2R,5R)-2-[(2R)-1-(4-benzylpiperidin-1-yl)-2-hydroxypropan-2-yl]-5-methylcyclohexan-1-ol
CID 172453587
(1R,2R,5R)-2-[(2S)-1-(4-benzylpiperidin-1-yl)-2-hydroxypropan-2-yl]-5-methylcyclohexan-1-ol
CID 172466529
(1S,2R,5R)-2-[(2S)-1-(4-benzylpiperidin-1-yl)-2-hydroxypropan-2-yl]-5-methylcyclohexan-1-ol
CID 172471218
2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol
CID 344209
(1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol
CID 11565162
(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
(3S)-1-[2-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]propan-2-yl]-6-methyl-3-phenyl-4,7-dihydro-2H-azepin-3-ol
CID 11485113

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol (CID 10502346) is (1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol is CC(C)=CCN(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-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol?
The InChIKey is MHHYDMPKVXVMSA-CEMLEFRQSA-N. The full InChI is InChI=1S/C23H37NOSe/c1-18(2)13-14-24(15-16-26-20-9-7-6-8-10-20)23(4,5)21-12-11-19(3)17-22(21)25/h6-10,13,19,21-22,25H,11-12,14-17H2,1-5H3/t19-,21-,22-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol has a molecular weight of 422.52 g/mol, XLogP of 4.28, 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-[3-methylbut-2-enyl(2-phenylselanylethyl)amino]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10502346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).