2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile

C15H21N3 — CID 102623958

IUPAC2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
SMILESN#CCc1cc(NCCC2CCCC2)ccc1N
InChIInChI=1S/C15H21N3/c16-9-7-13-11-14(5-6-15(13)17)18-10-8-12-3-1-2-4-12/h5-6,11-12,18H,1-4,7-8,10,17H2
InChIKeyKOGKAEOMFSOHKQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.33
Rot. Bonds5

About 2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile

2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile (PubChem CID 102623958) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
PubChem CID102623958
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
SMILESN#CCc1cc(NCCC2CCCC2)ccc1N
InChIInChI=1S/C15H21N3/c16-9-7-13-11-14(5-6-15(13)17)18-10-8-12-3-1-2-4-12/h5-6,11-12,18H,1-4,7-8,10,17H2
InChIKeyKOGKAEOMFSOHKQ-UHFFFAOYSA-N
XLogP3.33
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
CID 102624332
2-[2-amino-5-[(1-methylpiperidin-3-yl)methylamino]phenyl]acetonitrile
CID 102624158
2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile
CID 102624243
2-amino-5-(2-cyclopropylethylamino)benzonitrile
CID 115499584
2-[2-amino-5-[(2-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 102624457
2-[2-amino-5-[(3-hydroxycyclobutyl)methylamino]phenyl]acetonitrile
CID 102624464
2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile
CID 102624240
4-N-(2-cyclopropylethyl)benzene-1,2,4-triamine
CID 106750937
2-[2-amino-5-[2-(cyclopenten-1-yl)ethylamino]phenyl]acetonitrile
CID 114152749
2-[2-amino-5-[(3-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 114146019
2-[2-amino-5-(2-phenylethylamino)phenyl]acetonitrile
CID 102623736
2-[2-amino-5-(6-hydroxyhexylamino)phenyl]acetonitrile
CID 107843953

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile (CID 102623958) is 2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile is N#CCc1cc(NCCC2CCCC2)ccc1N.
What is the InChIKey of 2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile?
The InChIKey is KOGKAEOMFSOHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-9-7-13-11-14(5-6-15(13)17)18-10-8-12-3-1-2-4-12/h5-6,11-12,18H,1-4,7-8,10,17H2.
What are the key properties of 2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile?
2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.33, 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-cyclopentylethylamino)phenyl]acetonitrile is sourced from PubChem (CID 102623958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).