2-amino-6-(cyclopentyloxymethyl)benzonitrile

C13H16N2O — CID 82013530

IUPAC2-amino-6-(cyclopentyloxymethyl)benzonitrile
SMILESN#Cc1c(N)cccc1COC1CCCC1
InChIInChI=1S/C13H16N2O/c14-8-12-10(4-3-7-13(12)15)9-16-11-5-1-2-6-11/h3-4,7,11H,1-2,5-6,9,15H2
InChIKeyMNZLZTJBBKYHJV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.60
Rot. Bonds3

About 2-amino-6-(cyclopentyloxymethyl)benzonitrile

2-amino-6-(cyclopentyloxymethyl)benzonitrile (PubChem CID 82013530) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-6-(cyclopentyloxymethyl)benzonitrile.

Molecular Properties

Compound Name2-amino-6-(cyclopentyloxymethyl)benzonitrile
PubChem CID82013530
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-amino-6-(cyclopentyloxymethyl)benzonitrile
SMILESN#Cc1c(N)cccc1COC1CCCC1
InChIInChI=1S/C13H16N2O/c14-8-12-10(4-3-7-13(12)15)9-16-11-5-1-2-6-11/h3-4,7,11H,1-2,5-6,9,15H2
InChIKeyMNZLZTJBBKYHJV-UHFFFAOYSA-N
XLogP2.60
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyclopentyloxymethyl)benzonitrile?
The IUPAC name of 2-amino-6-(cyclopentyloxymethyl)benzonitrile (CID 82013530) is 2-amino-6-(cyclopentyloxymethyl)benzonitrile.
What is the SMILES notation for 2-amino-6-(cyclopentyloxymethyl)benzonitrile?
The canonical SMILES for 2-amino-6-(cyclopentyloxymethyl)benzonitrile is N#Cc1c(N)cccc1COC1CCCC1.
What is the InChIKey of 2-amino-6-(cyclopentyloxymethyl)benzonitrile?
The InChIKey is MNZLZTJBBKYHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-8-12-10(4-3-7-13(12)15)9-16-11-5-1-2-6-11/h3-4,7,11H,1-2,5-6,9,15H2.
What are the key properties of 2-amino-6-(cyclopentyloxymethyl)benzonitrile?
2-amino-6-(cyclopentyloxymethyl)benzonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyclopentyloxymethyl)benzonitrile is sourced from PubChem (CID 82013530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).