(2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile

C19H26N2O — CID 16663747

IUPAC(2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
SMILESCC(C)(C)C12CC([C@H](C#N)N[C@@H](CO)c3ccccc3)(C1)C2
InChIInChI=1S/C19H26N2O/c1-17(2,3)19-11-18(12-19,13-19)16(9-20)21-15(10-22)14-7-5-4-6-8-14/h4-8,15-16,21-22H,10-13H2,1-3H3/t15-,16-,18?,19?/m0/s1
InChIKeyLBDZCLQRTUPLFE-XYCLOBBJSA-N
MW298.43 g/mol
LogP3.42
Rot. Bonds5

About (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile

(2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile (PubChem CID 16663747) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile.

Molecular Properties

Compound Name(2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
PubChem CID16663747
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
SMILESCC(C)(C)C12CC([C@H](C#N)N[C@@H](CO)c3ccccc3)(C1)C2
InChIInChI=1S/C19H26N2O/c1-17(2,3)19-11-18(12-19,13-19)16(9-20)21-15(10-22)14-7-5-4-6-8-14/h4-8,15-16,21-22H,10-13H2,1-3H3/t15-,16-,18?,19?/m0/s1
InChIKeyLBDZCLQRTUPLFE-XYCLOBBJSA-N
XLogP3.42
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile with MolForge

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Related Compounds

(2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 155936560
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2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
CID 76810844
3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
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2-(2-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 174731347
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349
(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
CID 11172674
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol
CID 114228231
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile?
The IUPAC name of (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile (CID 16663747) is (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile.
What is the SMILES notation for (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile?
The canonical SMILES for (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile is CC(C)(C)C12CC([C@H](C#N)N[C@@H](CO)c3ccccc3)(C1)C2.
What is the InChIKey of (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile?
The InChIKey is LBDZCLQRTUPLFE-XYCLOBBJSA-N. The full InChI is InChI=1S/C19H26N2O/c1-17(2,3)19-11-18(12-19,13-19)16(9-20)21-15(10-22)14-7-5-4-6-8-14/h4-8,15-16,21-22H,10-13H2,1-3H3/t15-,16-,18?,19?/m0/s1.
What are the key properties of (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile?
(2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile has a molecular weight of 298.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile is sourced from PubChem (CID 16663747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).