(3R)-3-(dibenzylamino)-5-hydroxypentanenitrile

C19H22N2O — CID 10469724

IUPAC(3R)-3-(dibenzylamino)-5-hydroxypentanenitrile
SMILESN#CC[C@H](CCO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O/c20-13-11-19(12-14-22)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19,22H,11-12,14-16H2/t19-/m1/s1
InChIKeyYSYIKGWCRKLJMJ-LJQANCHMSA-N
MW294.40 g/mol
LogP3.35
Rot. Bonds8

About (3R)-3-(dibenzylamino)-5-hydroxypentanenitrile

(3R)-3-(dibenzylamino)-5-hydroxypentanenitrile (PubChem CID 10469724) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3R)-3-(dibenzylamino)-5-hydroxypentanenitrile.

Molecular Properties

Compound Name(3R)-3-(dibenzylamino)-5-hydroxypentanenitrile
PubChem CID10469724
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3R)-3-(dibenzylamino)-5-hydroxypentanenitrile
SMILESN#CC[C@H](CCO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2O/c20-13-11-19(12-14-22)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19,22H,11-12,14-16H2/t19-/m1/s1
InChIKeyYSYIKGWCRKLJMJ-LJQANCHMSA-N
XLogP3.35
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
2-[benzyl-[(2S)-1-hydroxypentan-2-yl]amino]acetonitrile
CID 11550414
2-[2-(dibenzylamino)-4-hydroxybutyl]isoindole-1,3-dione
CID 85102916
2-[benzyl(2-hydroxyethyl)amino]butanenitrile
CID 62115822
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
3-[benzyl-[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]propanenitrile
CID 170222607
2-[benzyl-[(2R)-1-hydroxypropan-2-yl]amino]acetonitrile
CID 71988819
3-(4-chlorophenyl)-3-(dibenzylamino)propanenitrile
CID 11187551
(3S,4R,5S)-3-(dibenzylamino)-6,6-dimethylheptane-1,4,5-triol
CID 100917202
(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
(2S)-2-(dibenzylamino)-4-pyrrol-1-ylbutan-1-ol
CID 14610936
(3R)-3-benzyl-4-hydroxybutanenitrile
CID 11126787

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(dibenzylamino)-5-hydroxypentanenitrile?
The IUPAC name of (3R)-3-(dibenzylamino)-5-hydroxypentanenitrile (CID 10469724) is (3R)-3-(dibenzylamino)-5-hydroxypentanenitrile.
What is the SMILES notation for (3R)-3-(dibenzylamino)-5-hydroxypentanenitrile?
The canonical SMILES for (3R)-3-(dibenzylamino)-5-hydroxypentanenitrile is N#CC[C@H](CCO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R)-3-(dibenzylamino)-5-hydroxypentanenitrile?
The InChIKey is YSYIKGWCRKLJMJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O/c20-13-11-19(12-14-22)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19,22H,11-12,14-16H2/t19-/m1/s1.
What are the key properties of (3R)-3-(dibenzylamino)-5-hydroxypentanenitrile?
(3R)-3-(dibenzylamino)-5-hydroxypentanenitrile has a molecular weight of 294.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(dibenzylamino)-5-hydroxypentanenitrile is sourced from PubChem (CID 10469724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).