4-[2-(cyclopentylamino)ethoxy]benzonitrile

C14H18N2O — CID 2199873

IUPAC4-[2-(cyclopentylamino)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCNC2CCCC2)cc1
InChIInChI=1S/C14H18N2O/c15-11-12-5-7-14(8-6-12)17-10-9-16-13-3-1-2-4-13/h5-8,13,16H,1-4,9-10H2
InChIKeyQBGWQHSMYCDLLC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.47
Rot. Bonds5

About 4-[2-(cyclopentylamino)ethoxy]benzonitrile

4-[2-(cyclopentylamino)ethoxy]benzonitrile (PubChem CID 2199873) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)ethoxy]benzonitrile
PubChem CID2199873
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[2-(cyclopentylamino)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCCNC2CCCC2)cc1
InChIInChI=1S/C14H18N2O/c15-11-12-5-7-14(8-6-12)17-10-9-16-13-3-1-2-4-13/h5-8,13,16H,1-4,9-10H2
InChIKeyQBGWQHSMYCDLLC-UHFFFAOYSA-N
XLogP2.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-cyanophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63042104
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
4-(3-cycloheptyloxypropoxy)benzonitrile
CID 61070271
4-[2-[[(2R,3S)-2-methyloxolan-3-yl]amino]ethoxy]benzonitrile
CID 97101796
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 93381192
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502
4-[2-(methylamino)ethoxy]benzonitrile;hydrochloride
CID 146277545
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
4-[3-(cyclohexylmethoxy)propoxy]benzonitrile
CID 62381881
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[3-(4-methylsulfanylphenoxy)propyl]cyclopentanamine
CID 63648269
N-[2-(4-butylphenoxy)ethyl]cycloheptanamine
CID 115493422

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylamino)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(cyclopentylamino)ethoxy]benzonitrile (CID 2199873) is 4-[2-(cyclopentylamino)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(cyclopentylamino)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(cyclopentylamino)ethoxy]benzonitrile is N#Cc1ccc(OCCNC2CCCC2)cc1.
What is the InChIKey of 4-[2-(cyclopentylamino)ethoxy]benzonitrile?
The InChIKey is QBGWQHSMYCDLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-11-12-5-7-14(8-6-12)17-10-9-16-13-3-1-2-4-13/h5-8,13,16H,1-4,9-10H2.
What are the key properties of 4-[2-(cyclopentylamino)ethoxy]benzonitrile?
4-[2-(cyclopentylamino)ethoxy]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)ethoxy]benzonitrile is sourced from PubChem (CID 2199873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).