2-[3-(cyclopentylamino)propoxy]benzonitrile

C15H20N2O — CID 2199979

IUPAC2-[3-(cyclopentylamino)propoxy]benzonitrile
SMILESN#Cc1ccccc1OCCCNC1CCCC1
InChIInChI=1S/C15H20N2O/c16-12-13-6-1-4-9-15(13)18-11-5-10-17-14-7-2-3-8-14/h1,4,6,9,14,17H,2-3,5,7-8,10-11H2
InChIKeyWRCZQIVOPXJWRT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.86
Rot. Bonds6

About 2-[3-(cyclopentylamino)propoxy]benzonitrile

2-[3-(cyclopentylamino)propoxy]benzonitrile (PubChem CID 2199979) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[3-(cyclopentylamino)propoxy]benzonitrile.

Molecular Properties

Compound Name2-[3-(cyclopentylamino)propoxy]benzonitrile
PubChem CID2199979
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[3-(cyclopentylamino)propoxy]benzonitrile
SMILESN#Cc1ccccc1OCCCNC1CCCC1
InChIInChI=1S/C15H20N2O/c16-12-13-6-1-4-9-15(13)18-11-5-10-17-14-7-2-3-8-14/h1,4,6,9,14,17H,2-3,5,7-8,10-11H2
InChIKeyWRCZQIVOPXJWRT-UHFFFAOYSA-N
XLogP2.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylamino)propoxy]benzonitrile?
The IUPAC name of 2-[3-(cyclopentylamino)propoxy]benzonitrile (CID 2199979) is 2-[3-(cyclopentylamino)propoxy]benzonitrile.
What is the SMILES notation for 2-[3-(cyclopentylamino)propoxy]benzonitrile?
The canonical SMILES for 2-[3-(cyclopentylamino)propoxy]benzonitrile is N#Cc1ccccc1OCCCNC1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylamino)propoxy]benzonitrile?
The InChIKey is WRCZQIVOPXJWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-12-13-6-1-4-9-15(13)18-11-5-10-17-14-7-2-3-8-14/h1,4,6,9,14,17H,2-3,5,7-8,10-11H2.
What are the key properties of 2-[3-(cyclopentylamino)propoxy]benzonitrile?
2-[3-(cyclopentylamino)propoxy]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylamino)propoxy]benzonitrile is sourced from PubChem (CID 2199979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).