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

C12H15N3 — CID 102624243

IUPAC2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile
SMILESN#CCc1cc(NC2CCC2)ccc1N
InChIInChI=1S/C12H15N3/c13-7-6-9-8-11(4-5-12(9)14)15-10-2-1-3-10/h4-5,8,10,15H,1-3,6,14H2
InChIKeyWNMXHKDFBGCELF-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.30
Rot. Bonds3

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

2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile (PubChem CID 102624243) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile
PubChem CID102624243
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile
SMILESN#CCc1cc(NC2CCC2)ccc1N
InChIInChI=1S/C12H15N3/c13-7-6-9-8-11(4-5-12(9)14)15-10-2-1-3-10/h4-5,8,10,15H,1-3,6,14H2
InChIKeyWNMXHKDFBGCELF-UHFFFAOYSA-N
XLogP2.30
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.30
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-[(3-ethylcyclohexyl)amino]phenyl]acetonitrile
CID 102624414
2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile
CID 102624240
2-[2-amino-5-[(2,2-dimethylcyclopropyl)amino]phenyl]acetonitrile
CID 102624187
2-[2-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]phenyl]acetonitrile
CID 106359179
2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile
CID 102624577
2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile
CID 102624597
2-[2-amino-5-[(2-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 102624457
2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
CID 102623958
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
CID 102624332
2-[3-(cyclobutylamino)phenyl]acetonitrile
CID 131026744
2-[2-amino-5-[(1-methylcyclobutyl)amino]phenyl]acetonitrile
CID 102624696

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile (CID 102624243) is 2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile is N#CCc1cc(NC2CCC2)ccc1N.
What is the InChIKey of 2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile?
The InChIKey is WNMXHKDFBGCELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-7-6-9-8-11(4-5-12(9)14)15-10-2-1-3-10/h4-5,8,10,15H,1-3,6,14H2.
What are the key properties of 2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile?
2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile is sourced from PubChem (CID 102624243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).