4-amino-3-cyclobutyloxybenzonitrile

C11H12N2O — CID 112623559

IUPAC4-amino-3-cyclobutyloxybenzonitrile
SMILESN#Cc1ccc(N)c(OC2CCC2)c1
InChIInChI=1S/C11H12N2O/c12-7-8-4-5-10(13)11(6-8)14-9-2-1-3-9/h4-6,9H,1-3,13H2
InChIKeyOZQVRXLMPRPJCV-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.07
Rot. Bonds2

About 4-amino-3-cyclobutyloxybenzonitrile

4-amino-3-cyclobutyloxybenzonitrile (PubChem CID 112623559) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-amino-3-cyclobutyloxybenzonitrile.

Molecular Properties

Compound Name4-amino-3-cyclobutyloxybenzonitrile
PubChem CID112623559
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-amino-3-cyclobutyloxybenzonitrile
SMILESN#Cc1ccc(N)c(OC2CCC2)c1
InChIInChI=1S/C11H12N2O/c12-7-8-4-5-10(13)11(6-8)14-9-2-1-3-9/h4-6,9H,1-3,13H2
InChIKeyOZQVRXLMPRPJCV-UHFFFAOYSA-N
XLogP2.07
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(3-methylcyclohexyl)oxybenzonitrile
CID 113444310
3-chloro-4-cyclopentyloxybenzonitrile
CID 58439107
4-cyclopentyloxy-3-methylbenzonitrile
CID 60929177
(2-amino-5-cyanophenyl) hypofluorite
CID 142393314
3-amino-4-(1-cyclopropylpiperidin-4-yl)oxybenzonitrile
CID 138109835
4-amino-3-(oxolan-2-ylmethoxy)benzonitrile
CID 104712496
3-amino-4-(cyclopropylamino)benzonitrile
CID 43517994
5-amino-6-cyclobutyloxypyridine-3-carbonitrile
CID 103469697
2-cyclohexyloxy-4-(trifluoromethyl)aniline
CID 162679508
2-cyclohexyloxy-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589686
3-ethoxy-4-(4-methylcyclohexyl)oxybenzonitrile
CID 64749862
3-amino-4-(5-oxaspiro[3.5]nonan-8-yloxy)benzonitrile
CID 79905194

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclobutyloxybenzonitrile?
The IUPAC name of 4-amino-3-cyclobutyloxybenzonitrile (CID 112623559) is 4-amino-3-cyclobutyloxybenzonitrile.
What is the SMILES notation for 4-amino-3-cyclobutyloxybenzonitrile?
The canonical SMILES for 4-amino-3-cyclobutyloxybenzonitrile is N#Cc1ccc(N)c(OC2CCC2)c1.
What is the InChIKey of 4-amino-3-cyclobutyloxybenzonitrile?
The InChIKey is OZQVRXLMPRPJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-7-8-4-5-10(13)11(6-8)14-9-2-1-3-9/h4-6,9H,1-3,13H2.
What are the key properties of 4-amino-3-cyclobutyloxybenzonitrile?
4-amino-3-cyclobutyloxybenzonitrile has a molecular weight of 188.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclobutyloxybenzonitrile is sourced from PubChem (CID 112623559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).