(1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol

C18H29NOSe — CID 10570110

IUPAC(1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)NCC[Se]c2ccccc2)[C@H](O)C1
InChIInChI=1S/C18H29NOSe/c1-14-9-10-16(17(20)13-14)18(2,3)19-11-12-21-15-7-5-4-6-8-15/h4-8,14,16-17,19-20H,9-13H2,1-3H3/t14-,16-,17-/m1/s1
InChIKeySQJKNSBWUGAJHQ-DJIMGWMZSA-N
MW354.40 g/mol
LogP2.60
Rot. Bonds6

About (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol

(1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol (PubChem CID 10570110) has the molecular formula C18H29NOSe and a molecular weight of 354.40 g/mol. Its IUPAC name is (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol
PubChem CID10570110
Molecular FormulaC18H29NOSe
Molecular Weight354.40 g/mol
Exact Mass355.14
IUPAC Name(1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@@H](C(C)(C)NCC[Se]c2ccccc2)[C@H](O)C1
InChIInChI=1S/C18H29NOSe/c1-14-9-10-16(17(20)13-14)18(2,3)19-11-12-21-15-7-5-4-6-8-15/h4-8,14,16-17,19-20H,9-13H2,1-3H3/t14-,16-,17-/m1/s1
InChIKeySQJKNSBWUGAJHQ-DJIMGWMZSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol with MolForge

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Related Compounds

Drobuline
CID 60890
(1S,2R,5R)-2-[(2S)-2-hydroxy-1-(4-phenylbutylamino)propan-2-yl]-5-methylcyclohexan-1-ol
CID 172443179
(1S,2R,5R)-2-[(2R)-2-hydroxy-1-(4-phenylbutylamino)propan-2-yl]-5-methylcyclohexan-1-ol
CID 172460408
(1R,2R,5R)-2-[(2R)-2-hydroxy-1-(4-phenylbutylamino)propan-2-yl]-5-methylcyclohexan-1-ol
CID 172466646
(1R,2R,5R)-2-[(2S)-2-hydroxy-1-(4-phenylbutylamino)propan-2-yl]-5-methylcyclohexan-1-ol
CID 172468842
Drobuline Hydrochloride
CID 24198611
[1-(Methylamino)-4-phenylcyclohexyl]methanol
CID 51892292
(1R,2S,5R)-2-[2-(benzylamino)propan-2-yl]-5-methylcyclohexan-1-ol
CID 11565162
4-[2-[[(2R)-2-(3-fluorophenyl)propyl]amino]-2-methylpropyl]cyclohexan-1-ol
CID 172235518
(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
(2S,4aS,7R,8aR)-4,4,7-trimethyl-2-[(1R)-1-phenylselanylethyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazine
CID 10832714
1-(Cyclohexylamino)-3-phenylbutan-2-ol
CID 114999845

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol (CID 10570110) is (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol is C[C@@H]1CC[C@@H](C(C)(C)NCC[Se]c2ccccc2)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol?
The InChIKey is SQJKNSBWUGAJHQ-DJIMGWMZSA-N. The full InChI is InChI=1S/C18H29NOSe/c1-14-9-10-16(17(20)13-14)18(2,3)19-11-12-21-15-7-5-4-6-8-15/h4-8,14,16-17,19-20H,9-13H2,1-3H3/t14-,16-,17-/m1/s1.
What are the key properties of (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol?
(1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol has a molecular weight of 354.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-methyl-2-[2-(2-phenylselanylethylamino)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 10570110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).