3-ethenylnaphthalen-1-amine

C12H11N — CID 150338788

IUPAC3-ethenylnaphthalen-1-amine
SMILESC=Cc1cc(N)c2ccccc2c1
InChIInChI=1S/C12H11N/c1-2-9-7-10-5-3-4-6-11(10)12(13)8-9/h2-8H,1,13H2
InChIKeyGRGBPRJBNOKDMO-UHFFFAOYSA-N
MW169.23 g/mol
LogP3.07
Rot. Bonds1

About 3-ethenylnaphthalen-1-amine

3-ethenylnaphthalen-1-amine (PubChem CID 150338788) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-ethenylnaphthalen-1-amine.

Molecular Properties

Compound Name3-ethenylnaphthalen-1-amine
PubChem CID150338788
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name3-ethenylnaphthalen-1-amine
SMILESC=Cc1cc(N)c2ccccc2c1
InChIInChI=1S/C12H11N/c1-2-9-7-10-5-3-4-6-11(10)12(13)8-9/h2-8H,1,13H2
InChIKeyGRGBPRJBNOKDMO-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(ethenyl)naphthalen-1-amine
CID 151772517
3-ethenyl-1-methoxynaphthalene
CID 22386223
4-aminonaphthalene-2-thiol
CID 22336615
phenanthren-9-amine
CID 13695
3-phenyldiazenylnaphthalen-1-amine
CID 156686979
perylene;styrene
CID 174665389
3-azidonaphthalen-1-amine
CID 21162853
3-(4-chlorophenyl)naphthalen-1-amine
CID 56642068
2-ethenylhexahelicene
CID 71739612
4-ethenylbenzene-1,2-diamine
CID 18400401
CID 135259743
CID 135259743
2,3-bis(ethenyl)phenanthrene
CID 144756778

Frequently Asked Questions

What is the IUPAC name of 3-ethenylnaphthalen-1-amine?
The IUPAC name of 3-ethenylnaphthalen-1-amine (CID 150338788) is 3-ethenylnaphthalen-1-amine.
What is the SMILES notation for 3-ethenylnaphthalen-1-amine?
The canonical SMILES for 3-ethenylnaphthalen-1-amine is C=Cc1cc(N)c2ccccc2c1.
What is the InChIKey of 3-ethenylnaphthalen-1-amine?
The InChIKey is GRGBPRJBNOKDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-2-9-7-10-5-3-4-6-11(10)12(13)8-9/h2-8H,1,13H2.
What are the key properties of 3-ethenylnaphthalen-1-amine?
3-ethenylnaphthalen-1-amine has a molecular weight of 169.23 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylnaphthalen-1-amine is sourced from PubChem (CID 150338788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).