2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile

C15H19N3 — CID 114152749

IUPAC2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile
SMILESN#CCc1cc(NCCC2=CCCC2)ccc1N
InChIInChI=1S/C15H19N3/c16-9-7-13-11-14(5-6-15(13)17)18-10-8-12-3-1-2-4-12/h3,5-6,11,18H,1-2,4,7-8,10,17H2
InChIKeyUBOCCPOGWVMKDB-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.25
Rot. Bonds5

About 2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile

2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile (PubChem CID 114152749) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile
PubChem CID114152749
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile
SMILESN#CCc1cc(NCCC2=CCCC2)ccc1N
InChIInChI=1S/C15H19N3/c16-9-7-13-11-14(5-6-15(13)17)18-10-8-12-3-1-2-4-12/h3,5-6,11,18H,1-2,4,7-8,10,17H2
InChIKeyUBOCCPOGWVMKDB-UHFFFAOYSA-N
XLogP3.25
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-5-(2-phenylethylamino)phenyl]acetonitrile
CID 102623736
2-[2-amino-5-[2-(3,5-difluorophenyl)ethylamino]phenyl]acetonitrile
CID 102624259
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
CID 102623958
4-N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 107846020
2-[2-amino-5-[2-(4-fluoro-2-methylphenyl)ethylamino]phenyl]acetonitrile
CID 102624530
4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 106166400
2-[2-amino-5-(6-hydroxyhexylamino)phenyl]acetonitrile
CID 107843953
N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline
CID 103844182
3-[2-(cyclohexen-1-yl)ethylamino]benzonitrile
CID 84617985
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-[4-amino-3-(cyanomethyl)anilino]acetic acid
CID 102624226

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile (CID 114152749) is 2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile is N#CCc1cc(NCCC2=CCCC2)ccc1N.
What is the InChIKey of 2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile?
The InChIKey is UBOCCPOGWVMKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-9-7-13-11-14(5-6-15(13)17)18-10-8-12-3-1-2-4-12/h3,5-6,11,18H,1-2,4,7-8,10,17H2.
What are the key properties of 2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile?
2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile has a molecular weight of 241.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile is sourced from PubChem (CID 114152749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).