naphthalen-1-amine

C10H9N — CID 8640

IUPACnaphthalen-1-amine
SMILESNc1cccc2ccccc12
InChIInChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
InChIKeyRUFPHBVGCFYCNW-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.42
Rot. Bonds

About naphthalen-1-amine

naphthalen-1-amine (PubChem CID 8640) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is naphthalen-1-amine.

Molecular Properties

Compound Namenaphthalen-1-amine
PubChem CID8640
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Namenaphthalen-1-amine
SMILESNc1cccc2ccccc12
InChIInChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
InChIKeyRUFPHBVGCFYCNW-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-amine?
The IUPAC name of naphthalen-1-amine (CID 8640) is naphthalen-1-amine.
What is the SMILES notation for naphthalen-1-amine?
The canonical SMILES for naphthalen-1-amine is Nc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-amine?
The InChIKey is RUFPHBVGCFYCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2.
What are the key properties of naphthalen-1-amine?
naphthalen-1-amine has a molecular weight of 143.19 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-amine is sourced from PubChem (CID 8640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).