2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium

C16H18N+ — CID 7009453

IUPAC2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
SMILES[NH3+]CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H17N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,16H,9-11,17H2/p+1
InChIKeyYJCNPACNIAQKNY-UHFFFAOYSA-O
MW224.33 g/mol
LogP2.16
Rot. Bonds1

About 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium

2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium (PubChem CID 7009453) has the molecular formula C16H18N+ and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium.

Molecular Properties

Compound Name2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
PubChem CID7009453
Molecular FormulaC16H18N+
Molecular Weight224.33 g/mol
Exact Mass224.14
IUPAC Name2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
SMILES[NH3+]CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H17N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,16H,9-11,17H2/p+1
InChIKeyYJCNPACNIAQKNY-UHFFFAOYSA-O
XLogP2.16
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile
CID 10848103
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
[(1S)-2,3-dihydro-1H-inden-1-yl]-trimethylazanium
CID 57317290
2,2,2-trifluoro-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethanamine
CID 83985097
N'-methyl-N'-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)ethane-1,2-diamine
CID 23791959
1-ethyl-2,3-dihydro-1H-indene
CID 20971
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine
CID 83985096
(2S)-N,N,2-trimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propan-1-amine;hydrochloride
CID 76961165
1-(2,3-dihydro-1H-inden-1-yloxymethoxy)-2,3-dihydro-1H-indene
CID 70037925

Frequently Asked Questions

What is the IUPAC name of 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium?
The IUPAC name of 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium (CID 7009453) is 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium.
What is the SMILES notation for 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium?
The canonical SMILES for 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium is [NH3+]CC1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium?
The InChIKey is YJCNPACNIAQKNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-8,16H,9-11,17H2/p+1.
What are the key properties of 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium?
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium has a molecular weight of 224.33 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium is sourced from PubChem (CID 7009453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).