N,N-dimethylnaphthalen-1-amine;sulfuric acid

C12H15NO4S — CID 159908177

IUPACN,N-dimethylnaphthalen-1-amine;sulfuric acid
SMILESCN(C)c1cccc2ccccc12.O=S(=O)(O)O
InChIInChI=1S/C12H13N.H2O4S/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-5(2,3)4/h3-9H,1-2H3;(H2,1,2,3,4)
InChIKeyNWVMPYIDXWZLMU-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.25
Rot. Bonds1

About N,N-dimethylnaphthalen-1-amine;sulfuric acid

N,N-dimethylnaphthalen-1-amine;sulfuric acid (PubChem CID 159908177) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is N,N-dimethylnaphthalen-1-amine;sulfuric acid.

Molecular Properties

Compound NameN,N-dimethylnaphthalen-1-amine;sulfuric acid
PubChem CID159908177
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC NameN,N-dimethylnaphthalen-1-amine;sulfuric acid
SMILESCN(C)c1cccc2ccccc12.O=S(=O)(O)O
InChIInChI=1S/C12H13N.H2O4S/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-5(2,3)4/h3-9H,1-2H3;(H2,1,2,3,4)
InChIKeyNWVMPYIDXWZLMU-UHFFFAOYSA-N
XLogP2.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
4-N-[4-[4-(dimethylamino)-N-naphthalen-1-ylanilino]phenyl]-1-N,1-N-dimethyl-4-N-naphthalen-1-ylbenzene-1,4-diamine
CID 59806587
[methyl(naphthalen-1-yl)amino]methylphosphonic acid
CID 19024142
N-methyl-N-naphthalen-1-ylbenzamide
CID 47382605
N-methyl-N-naphthalen-1-yl-2-oxoacetamide
CID 115166156
2-[[5-(dimethylamino)naphthalen-2-yl]sulfonylamino]acetic acid
CID 67792983
naphthalene;sulfuric acid
CID 69493753
N-(bromomethyl)-N-methylnaphthalen-1-amine
CID 115261813

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylnaphthalen-1-amine;sulfuric acid?
The IUPAC name of N,N-dimethylnaphthalen-1-amine;sulfuric acid (CID 159908177) is N,N-dimethylnaphthalen-1-amine;sulfuric acid.
What is the SMILES notation for N,N-dimethylnaphthalen-1-amine;sulfuric acid?
The canonical SMILES for N,N-dimethylnaphthalen-1-amine;sulfuric acid is CN(C)c1cccc2ccccc12.O=S(=O)(O)O.
What is the InChIKey of N,N-dimethylnaphthalen-1-amine;sulfuric acid?
The InChIKey is NWVMPYIDXWZLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.H2O4S/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;1-5(2,3)4/h3-9H,1-2H3;(H2,1,2,3,4).
What are the key properties of N,N-dimethylnaphthalen-1-amine;sulfuric acid?
N,N-dimethylnaphthalen-1-amine;sulfuric acid has a molecular weight of 269.32 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylnaphthalen-1-amine;sulfuric acid is sourced from PubChem (CID 159908177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).