2-amino-4-naphthalen-2-yloxybutanenitrile

C14H14N2O — CID 55143146

IUPAC2-amino-4-naphthalen-2-yloxybutanenitrile
SMILESN#CC(N)CCOc1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O/c15-10-13(16)7-8-17-14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13H,7-8,16H2
InChIKeyPNMORGWVMGBMLT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.46
Rot. Bonds4

About 2-amino-4-naphthalen-2-yloxybutanenitrile

2-amino-4-naphthalen-2-yloxybutanenitrile (PubChem CID 55143146) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-amino-4-naphthalen-2-yloxybutanenitrile.

Molecular Properties

Compound Name2-amino-4-naphthalen-2-yloxybutanenitrile
PubChem CID55143146
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-amino-4-naphthalen-2-yloxybutanenitrile
SMILESN#CC(N)CCOc1ccc2ccccc2c1
InChIInChI=1S/C14H14N2O/c15-10-13(16)7-8-17-14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13H,7-8,16H2
InChIKeyPNMORGWVMGBMLT-UHFFFAOYSA-N
XLogP2.46
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-naphthalen-2-yloxybutanenitrile?
The IUPAC name of 2-amino-4-naphthalen-2-yloxybutanenitrile (CID 55143146) is 2-amino-4-naphthalen-2-yloxybutanenitrile.
What is the SMILES notation for 2-amino-4-naphthalen-2-yloxybutanenitrile?
The canonical SMILES for 2-amino-4-naphthalen-2-yloxybutanenitrile is N#CC(N)CCOc1ccc2ccccc2c1.
What is the InChIKey of 2-amino-4-naphthalen-2-yloxybutanenitrile?
The InChIKey is PNMORGWVMGBMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-10-13(16)7-8-17-14-6-5-11-3-1-2-4-12(11)9-14/h1-6,9,13H,7-8,16H2.
What are the key properties of 2-amino-4-naphthalen-2-yloxybutanenitrile?
2-amino-4-naphthalen-2-yloxybutanenitrile has a molecular weight of 226.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-naphthalen-2-yloxybutanenitrile is sourced from PubChem (CID 55143146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).