2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium

C14H19N2+ — CID 23267204

IUPAC2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium
SMILES[NH3+]CCc1c[nH]c2ccc3c(c12)CCCC3
InChIInChI=1S/C14H18N2/c15-8-7-11-9-16-13-6-5-10-3-1-2-4-12(10)14(11)13/h5-6,9,16H,1-4,7-8,15H2/p+1
InChIKeyCATIVENIIHYMEC-UHFFFAOYSA-O
MW215.32 g/mol
LogP1.83
Rot. Bonds2

About 2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium

2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium (PubChem CID 23267204) has the molecular formula C14H19N2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium.

Molecular Properties

Compound Name2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium
PubChem CID23267204
Molecular FormulaC14H19N2+
Molecular Weight215.32 g/mol
Exact Mass215.15
IUPAC Name2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium
SMILES[NH3+]CCc1c[nH]c2ccc3c(c12)CCCC3
InChIInChI=1S/C14H18N2/c15-8-7-11-9-16-13-6-5-10-3-1-2-4-12(10)14(11)13/h5-6,9,16H,1-4,7-8,15H2/p+1
InChIKeyCATIVENIIHYMEC-UHFFFAOYSA-O
XLogP1.83
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4,5-dichloro-1H-indol-3-yl)ethylazanium
CID 23271495
ethane;1-methyl-3,6,7,8-tetrahydrocyclopenta[e]indole
CID 145326202
7-chloro-3-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
CID 71560917
1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-ylazanium
CID 23267296
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
2-(3,6-dihydro-2H-furo[2,3-e]indol-8-yl)-N,N-dimethylethanamine
CID 168946934
N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine
CID 123821411
1-(2-aminoethyl)-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-6-one
CID 24764972
4,5-dimethyl-3-pentyl-1H-indole
CID 168931300
1-(6,7,8,9-tetrahydro-1H-benzo[g]indol-3-yl)propan-2-amine
CID 12503614
2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720624
2-[5-[3-[[3-(2-azaniumylethyl)-1H-indol-5-yl]oxycarbonyl]benzoyl]oxy-1H-indol-3-yl]ethylazanium
CID 7037773

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium?
The IUPAC name of 2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium (CID 23267204) is 2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium.
What is the SMILES notation for 2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium?
The canonical SMILES for 2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium is [NH3+]CCc1c[nH]c2ccc3c(c12)CCCC3.
What is the InChIKey of 2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium?
The InChIKey is CATIVENIIHYMEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N2/c15-8-7-11-9-16-13-6-5-10-3-1-2-4-12(10)14(11)13/h5-6,9,16H,1-4,7-8,15H2/p+1.
What are the key properties of 2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium?
2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium has a molecular weight of 215.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium is sourced from PubChem (CID 23267204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).