5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile

C19H28N2O — CID 111565121

IUPAC5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(CCO)C1CCCc2ccccc21
InChIInChI=1S/C19H28N2O/c1-19(2,15-20)11-6-12-21(13-14-22)18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,18,22H,5-6,8,10-14H2,1-2H3
InChIKeyPAJDMSVKKFPAIE-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.69
Rot. Bonds7

About 5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile

5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile (PubChem CID 111565121) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile
PubChem CID111565121
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(CCO)C1CCCc2ccccc21
InChIInChI=1S/C19H28N2O/c1-19(2,15-20)11-6-12-21(13-14-22)18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,18,22H,5-6,8,10-14H2,1-2H3
InChIKeyPAJDMSVKKFPAIE-UHFFFAOYSA-N
XLogP3.69
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methylsulfonylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333650
2-[2-methylsulfonylethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethanol
CID 96547860
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443
5-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylpentanenitrile
CID 65255331
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
2-[2-(benzenesulfinyl)ethyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 111333651
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
CID 111799360
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidine-2,5-dione
CID 111799408
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 111436327
2-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-prop-2-enylacetamide
CID 111332324
1-[2-[3-hydroxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]pyrrolidin-2-one
CID 111544106

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile (CID 111565121) is 5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN(CCO)C1CCCc2ccccc21.
What is the InChIKey of 5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is PAJDMSVKKFPAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-19(2,15-20)11-6-12-21(13-14-22)18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,18,22H,5-6,8,10-14H2,1-2H3.
What are the key properties of 5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile?
5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 300.45 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 111565121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).