3-amino-1-methyl-1-naphthalen-1-ylurea

C12H13N3O — CID 115192586

IUPAC3-amino-1-methyl-1-naphthalen-1-ylurea
SMILESCN(C(=O)NN)c1cccc2ccccc12
InChIInChI=1S/C12H13N3O/c1-15(12(16)14-13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,13H2,1H3,(H,14,16)
InChIKeyQCUNSCUJYRAXFX-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.86
Rot. Bonds1

About 3-amino-1-methyl-1-naphthalen-1-ylurea

3-amino-1-methyl-1-naphthalen-1-ylurea (PubChem CID 115192586) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-amino-1-methyl-1-naphthalen-1-ylurea.

Molecular Properties

Compound Name3-amino-1-methyl-1-naphthalen-1-ylurea
PubChem CID115192586
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-amino-1-methyl-1-naphthalen-1-ylurea
SMILESCN(C(=O)NN)c1cccc2ccccc12
InChIInChI=1S/C12H13N3O/c1-15(12(16)14-13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,13H2,1H3,(H,14,16)
InChIKeyQCUNSCUJYRAXFX-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
N-methyl-N-naphthalen-1-ylbenzamide
CID 47382605
N-methyl-N-naphthalen-1-yl-2-oxoacetamide
CID 115166156
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
propyl N-methyl-N-naphthalen-1-ylcarbamate
CID 71338053
N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
CID 50895807
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
3-amino-1-methyl-1-(1-methylindol-3-yl)urea
CID 115192506
methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
2-(cyclopropylamino)-N-methyl-N-naphthalen-1-ylacetamide
CID 115158418
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
1,3-dimethyl-1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]urea
CID 102087616

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-1-naphthalen-1-ylurea?
The IUPAC name of 3-amino-1-methyl-1-naphthalen-1-ylurea (CID 115192586) is 3-amino-1-methyl-1-naphthalen-1-ylurea.
What is the SMILES notation for 3-amino-1-methyl-1-naphthalen-1-ylurea?
The canonical SMILES for 3-amino-1-methyl-1-naphthalen-1-ylurea is CN(C(=O)NN)c1cccc2ccccc12.
What is the InChIKey of 3-amino-1-methyl-1-naphthalen-1-ylurea?
The InChIKey is QCUNSCUJYRAXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15(12(16)14-13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-1-methyl-1-naphthalen-1-ylurea?
3-amino-1-methyl-1-naphthalen-1-ylurea has a molecular weight of 215.26 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-1-naphthalen-1-ylurea is sourced from PubChem (CID 115192586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).