5-(4-aminophenyl)pentanenitrile

C11H14N2 — CID 13350835

IUPAC5-(4-aminophenyl)pentanenitrile
SMILESN#CCCCCc1ccc(N)cc1
InChIInChI=1S/C11H14N2/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8H,1-4,13H2
InChIKeyUFCUKCDTIGZABF-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.51
Rot. Bonds4

About 5-(4-aminophenyl)pentanenitrile

5-(4-aminophenyl)pentanenitrile (PubChem CID 13350835) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-(4-aminophenyl)pentanenitrile.

Molecular Properties

Compound Name5-(4-aminophenyl)pentanenitrile
PubChem CID13350835
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-(4-aminophenyl)pentanenitrile
SMILESN#CCCCCc1ccc(N)cc1
InChIInChI=1S/C11H14N2/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8H,1-4,13H2
InChIKeyUFCUKCDTIGZABF-UHFFFAOYSA-N
XLogP2.51
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-[4-(6-cyanohexyl)phenyl]heptanenitrile
CID 90482540
4-(4-cyanobutyl)benzoic acid
CID 134098566
5-(4-nitrophenyl)pentanenitrile
CID 13350834
4-[4-(bromomethyl)phenyl]butanenitrile
CID 22616137
4-(3-cyanopropyl)benzonitrile
CID 83927462
5-(4-benzoylphenyl)pentanenitrile
CID 46197508
4-hexadecylaniline
CID 571906
4-dodecylaniline;nonadecane
CID 155059812
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
3-[4-[2-(4-pentylphenyl)ethyl]phenyl]propanenitrile
CID 19789029
4-[1-[4-[18-[4-[1-(4-aminophenyl)ethyl]phenyl]octadecyl]phenyl]ethyl]aniline
CID 22919409
4-[1-[4-[14-[4-[1-(4-aminophenyl)ethyl]phenyl]tetradecyl]phenyl]ethyl]aniline
CID 22920015

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)pentanenitrile?
The IUPAC name of 5-(4-aminophenyl)pentanenitrile (CID 13350835) is 5-(4-aminophenyl)pentanenitrile.
What is the SMILES notation for 5-(4-aminophenyl)pentanenitrile?
The canonical SMILES for 5-(4-aminophenyl)pentanenitrile is N#CCCCCc1ccc(N)cc1.
What is the InChIKey of 5-(4-aminophenyl)pentanenitrile?
The InChIKey is UFCUKCDTIGZABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8H,1-4,13H2.
What are the key properties of 5-(4-aminophenyl)pentanenitrile?
5-(4-aminophenyl)pentanenitrile has a molecular weight of 174.25 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)pentanenitrile is sourced from PubChem (CID 13350835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).