2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile

C14H19N3O — CID 113323912

IUPAC2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
SMILESN#Cc1cc(N(CCO)C2CCCC2)ccc1N
InChIInChI=1S/C14H19N3O/c15-10-11-9-13(5-6-14(11)16)17(7-8-18)12-3-1-2-4-12/h5-6,9,12,18H,1-4,7-8,16H2
InChIKeySKBOLMZTSDQHNB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.88
Rot. Bonds4

About 2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile

2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile (PubChem CID 113323912) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
PubChem CID113323912
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
SMILESN#Cc1cc(N(CCO)C2CCCC2)ccc1N
InChIInChI=1S/C14H19N3O/c15-10-11-9-13(5-6-14(11)16)17(7-8-18)12-3-1-2-4-12/h5-6,9,12,18H,1-4,7-8,16H2
InChIKeySKBOLMZTSDQHNB-UHFFFAOYSA-N
XLogP1.88
TPSA73.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile
CID 102624116
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 104716539
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
CID 63676661
5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile
CID 54993728
2-amino-5-[methyl-(2-methylcyclohexyl)amino]benzonitrile
CID 113323918
2-[4-(aminomethyl)-3-chloro-N-cyclopentylanilino]ethanol
CID 55152420
2-[4-(aminomethyl)-N-cyclopentyl-3-fluoroanilino]ethanol
CID 113295415
2-[4-(aminomethyl)-3-chloro-N-cyclohexylanilino]ethanol
CID 62945689
2-[3-bromo-N-cyclopentyl-4-(hydroxymethyl)anilino]ethanol
CID 114060297
3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol
CID 102859413

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile?
The IUPAC name of 2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile (CID 113323912) is 2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile.
What is the SMILES notation for 2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile?
The canonical SMILES for 2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile is N#Cc1cc(N(CCO)C2CCCC2)ccc1N.
What is the InChIKey of 2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile?
The InChIKey is SKBOLMZTSDQHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-10-11-9-13(5-6-14(11)16)17(7-8-18)12-3-1-2-4-12/h5-6,9,12,18H,1-4,7-8,16H2.
What are the key properties of 2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile?
2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile is sourced from PubChem (CID 113323912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).