(2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile

C18H18N2O — CID 155936560

IUPAC(2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile
SMILESN#C[C@H](N[C@H](CO)c1ccccc1)C12C3C4C5C3C1C5C42
InChIInChI=1S/C18H18N2O/c19-6-10(20-9(7-21)8-4-2-1-3-5-8)18-15-12-11-13(15)17(18)14(11)16(12)18/h1-5,9-17,20-21H,7H2/t9-,10+,11?,12?,13?,14?,15?,16?,17?,18?/m1/s1
InChIKeyBVRNSGOMGQTQIL-CKSDFXBSSA-N
MW278.35 g/mol
LogP1.57
Rot. Bonds5

About (2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile

(2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile (PubChem CID 155936560) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile.

Molecular Properties

Compound Name(2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile
PubChem CID155936560
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name(2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile
SMILESN#C[C@H](N[C@H](CO)c1ccccc1)C12C3C4C5C3C1C5C42
InChIInChI=1S/C18H18N2O/c19-6-10(20-9(7-21)8-4-2-1-3-5-8)18-15-12-11-13(15)17(18)14(11)16(12)18/h1-5,9-17,20-21H,7H2/t9-,10+,11?,12?,13?,14?,15?,16?,17?,18?/m1/s1
InChIKeyBVRNSGOMGQTQIL-CKSDFXBSSA-N
XLogP1.57
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 16663747
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(1-methylcyclopentyl)acetonitrile
CID 102325450
2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
CID 76810844
3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
CID 101415979
2-(2-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 174731347
2-(hydroxyamino)-2-phenylethanol
CID 12782000
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]butane-1,4-diol
CID 15449405
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
3-hydroxy-2-phenylpropanenitrile
CID 11008065
(2S)-2-(1-bicyclo[2.2.2]octanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetic acid
CID 169283803

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile?
The IUPAC name of (2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile (CID 155936560) is (2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile.
What is the SMILES notation for (2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile?
The canonical SMILES for (2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile is N#C[C@H](N[C@H](CO)c1ccccc1)C12C3C4C5C3C1C5C42.
What is the InChIKey of (2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile?
The InChIKey is BVRNSGOMGQTQIL-CKSDFXBSSA-N. The full InChI is InChI=1S/C18H18N2O/c19-6-10(20-9(7-21)8-4-2-1-3-5-8)18-15-12-11-13(15)17(18)14(11)16(12)18/h1-5,9-17,20-21H,7H2/t9-,10+,11?,12?,13?,14?,15?,16?,17?,18?/m1/s1.
What are the key properties of (2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile?
(2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile has a molecular weight of 278.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile is sourced from PubChem (CID 155936560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).