2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile

C14H19N3O — CID 104716539

IUPAC2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
SMILESN#Cc1cccc(N(CCO)C2CCCC2)c1N
InChIInChI=1S/C14H19N3O/c15-10-11-4-3-7-13(14(11)16)17(8-9-18)12-5-1-2-6-12/h3-4,7,12,18H,1-2,5-6,8-9,16H2
InChIKeyNVCPUYVQUNQRME-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.88
Rot. Bonds4

About 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile

2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile (PubChem CID 104716539) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
PubChem CID104716539
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
SMILESN#Cc1cccc(N(CCO)C2CCCC2)c1N
InChIInChI=1S/C14H19N3O/c15-10-11-4-3-7-13(14(11)16)17(8-9-18)12-5-1-2-6-12/h3-4,7,12,18H,1-2,5-6,8-9,16H2
InChIKeyNVCPUYVQUNQRME-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-amino-3-[cyclopentyl(3-methylbutyl)amino]benzonitrile
CID 104716929
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
CID 115545500
2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
CID 102868412
2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 113323912
2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile
CID 104716390
2-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzonitrile
CID 107533458
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
CID 115545488
2-bromo-4-[cyclobutyl(2-hydroxyethyl)amino]-3-fluorobenzonitrile
CID 107534120
5-amino-2-[cyclopentyl(2-hydroxyethyl)amino]pyridine-3-carbonitrile
CID 54993728
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
CID 82002580

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile?
The IUPAC name of 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile (CID 104716539) is 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile.
What is the SMILES notation for 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile?
The canonical SMILES for 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile is N#Cc1cccc(N(CCO)C2CCCC2)c1N.
What is the InChIKey of 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile?
The InChIKey is NVCPUYVQUNQRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-10-11-4-3-7-13(14(11)16)17(8-9-18)12-5-1-2-6-12/h3-4,7,12,18H,1-2,5-6,8-9,16H2.
What are the key properties of 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile?
2-amino-3-[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-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile is sourced from PubChem (CID 104716539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).