4-(2-aminoethyl)-N-cyanobenzamide

C10H11N3O — CID 79194320

IUPAC4-(2-aminoethyl)-N-cyanobenzamide
SMILESN#CNC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C10H11N3O/c11-6-5-8-1-3-9(4-2-8)10(14)13-7-12/h1-4H,5-6,11H2,(H,13,14)
InChIKeyOGAIOSFQGOTXBY-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.40
Rot. Bonds3

About 4-(2-aminoethyl)-N-cyanobenzamide

4-(2-aminoethyl)-N-cyanobenzamide (PubChem CID 79194320) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-cyanobenzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-cyanobenzamide
PubChem CID79194320
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(2-aminoethyl)-N-cyanobenzamide
SMILESN#CNC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C10H11N3O/c11-6-5-8-1-3-9(4-2-8)10(14)13-7-12/h1-4H,5-6,11H2,(H,13,14)
InChIKeyOGAIOSFQGOTXBY-UHFFFAOYSA-N
XLogP0.40
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-cyanobenzamide
CID 79195247
4-amino-N-cyanobenzamide
CID 12713849
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide
CID 114912391
4-(2-aminoethyl)-N-but-3-yn-2-ylbenzamide
CID 114417205
4-(2-aminoethyl)-N-pyrrol-1-ylbenzamide
CID 79100239
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65107141
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-cyanobenzamide?
The IUPAC name of 4-(2-aminoethyl)-N-cyanobenzamide (CID 79194320) is 4-(2-aminoethyl)-N-cyanobenzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-cyanobenzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-cyanobenzamide is N#CNC(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-cyanobenzamide?
The InChIKey is OGAIOSFQGOTXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-6-5-8-1-3-9(4-2-8)10(14)13-7-12/h1-4H,5-6,11H2,(H,13,14).
What are the key properties of 4-(2-aminoethyl)-N-cyanobenzamide?
4-(2-aminoethyl)-N-cyanobenzamide has a molecular weight of 189.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-cyanobenzamide is sourced from PubChem (CID 79194320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).