2-(naphthalen-2-ylamino)acetonitrile

C12H10N2 — CID 43420244

IUPAC2-(naphthalen-2-ylamino)acetonitrile
SMILESN#CCNc1ccc2ccccc2c1
InChIInChI=1S/C12H10N2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,8H2
InChIKeyIQEUXUTZPCCADI-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.78
Rot. Bonds2

About 2-(naphthalen-2-ylamino)acetonitrile

2-(naphthalen-2-ylamino)acetonitrile (PubChem CID 43420244) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)acetonitrile
PubChem CID43420244
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name2-(naphthalen-2-ylamino)acetonitrile
SMILESN#CCNc1ccc2ccccc2c1
InChIInChI=1S/C12H10N2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,8H2
InChIKeyIQEUXUTZPCCADI-UHFFFAOYSA-N
XLogP2.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(naphthalen-2-ylamino)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(naphthalen-2-ylamino)acetyl cyanide
CID 100819015
N',N'-dimethyl-N-naphthalen-2-ylethane-1,2-diamine
CID 43401306
N-(2,2,3-trimethylbutyl)naphthalen-2-amine
CID 114100780
N-tert-butylnaphthalen-2-amine
CID 13200783
N-hexadecylnaphthalen-2-amine
CID 12796089
1,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115584985
N-[2-(2-methoxyphenyl)ethyl]naphthalen-2-amine
CID 106261920
N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
CID 43780291
N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
CID 21130226
4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile
CID 43420104
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63881509
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)acetonitrile?
The IUPAC name of 2-(naphthalen-2-ylamino)acetonitrile (CID 43420244) is 2-(naphthalen-2-ylamino)acetonitrile.
What is the SMILES notation for 2-(naphthalen-2-ylamino)acetonitrile?
The canonical SMILES for 2-(naphthalen-2-ylamino)acetonitrile is N#CCNc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylamino)acetonitrile?
The InChIKey is IQEUXUTZPCCADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,8H2.
What are the key properties of 2-(naphthalen-2-ylamino)acetonitrile?
2-(naphthalen-2-ylamino)acetonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)acetonitrile is sourced from PubChem (CID 43420244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).