2H-naphthalen-2-ylium-1-amine

C10H8N+ — CID 169061359

IUPAC2H-naphthalen-2-ylium-1-amine
SMILESNC1=[C+]C=Cc2ccccc21
InChIInChI=1S/C10H8N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-6H,11H2/q+1
InChIKeyBAIPWJFQTWUFRU-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.82
Rot. Bonds

About 2H-naphthalen-2-ylium-1-amine

2H-naphthalen-2-ylium-1-amine (PubChem CID 169061359) has the molecular formula C10H8N+ and a molecular weight of 142.18 g/mol. Its IUPAC name is 2H-naphthalen-2-ylium-1-amine.

Molecular Properties

Compound Name2H-naphthalen-2-ylium-1-amine
PubChem CID169061359
Molecular FormulaC10H8N+
Molecular Weight142.18 g/mol
Exact Mass142.07
IUPAC Name2H-naphthalen-2-ylium-1-amine
SMILESNC1=[C+]C=Cc2ccccc21
InChIInChI=1S/C10H8N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-6H,11H2/q+1
InChIKeyBAIPWJFQTWUFRU-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 123254733
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CID 18627824
(8Z)-pentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 177396805
tetracyclo[12.4.0.02,5.06,11]octadeca-1(18),2(5),6,8,10,12,14,16-octaene-3,4-dione
CID 71438939
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 14290121
2H-naphthalen-1-imine
CID 22066265
2,2-dimethylnaphthalene-1-thione
CID 14593448
10-phenyl-10-arsatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,8,11,13,15-octaene
CID 102314687
3-inden-1-ylideneindene-1,2-dione
CID 67892822
2-inden-1-ylideneethenone
CID 15416513
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 134854372
2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline
CID 5381820

Frequently Asked Questions

What is the IUPAC name of 2H-naphthalen-2-ylium-1-amine?
The IUPAC name of 2H-naphthalen-2-ylium-1-amine (CID 169061359) is 2H-naphthalen-2-ylium-1-amine.
What is the SMILES notation for 2H-naphthalen-2-ylium-1-amine?
The canonical SMILES for 2H-naphthalen-2-ylium-1-amine is NC1=[C+]C=Cc2ccccc21.
What is the InChIKey of 2H-naphthalen-2-ylium-1-amine?
The InChIKey is BAIPWJFQTWUFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-6H,11H2/q+1.
What are the key properties of 2H-naphthalen-2-ylium-1-amine?
2H-naphthalen-2-ylium-1-amine has a molecular weight of 142.18 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-naphthalen-2-ylium-1-amine is sourced from PubChem (CID 169061359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).