2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile

C10H13N3 — CID 130835057

IUPAC2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile
SMILESCN[C@H](C)c1ccc(N)c(C#N)c1
InChIInChI=1S/C10H13N3/c1-7(13-2)8-3-4-10(12)9(5-8)6-11/h3-5,7,13H,12H2,1-2H3/t7-/m1/s1
InChIKeyRGSCLJOBFISFLJ-SSDOTTSWSA-N
MW175.23 g/mol
LogP1.42
Rot. Bonds2

About 2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile

2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile (PubChem CID 130835057) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile
PubChem CID130835057
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile
SMILESCN[C@H](C)c1ccc(N)c(C#N)c1
InChIInChI=1S/C10H13N3/c1-7(13-2)8-3-4-10(12)9(5-8)6-11/h3-5,7,13H,12H2,1-2H3/t7-/m1/s1
InChIKeyRGSCLJOBFISFLJ-SSDOTTSWSA-N
XLogP1.42
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile?
The IUPAC name of 2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile (CID 130835057) is 2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile.
What is the SMILES notation for 2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile?
The canonical SMILES for 2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile is CN[C@H](C)c1ccc(N)c(C#N)c1.
What is the InChIKey of 2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile?
The InChIKey is RGSCLJOBFISFLJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13N3/c1-7(13-2)8-3-4-10(12)9(5-8)6-11/h3-5,7,13H,12H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile?
2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1R)-1-(methylamino)ethyl]benzonitrile is sourced from PubChem (CID 130835057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).