2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

C21H25IN4 — CID 111720624

IUPAC2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1c[nH]c2ccccc12)Nc1cccc2c1CCCC2
InChIInChI=1S/C21H24N4.HI/c22-21(25-20-11-5-7-15-6-1-2-8-17(15)20)23-13-12-16-14-24-19-10-4-3-9-18(16)19;/h3-5,7,9-11,14,24H,1-2,6,8,12-13H2,(H3,22,23,25);1H
InChIKeyDISBWNCTZWTHCK-UHFFFAOYSA-N
MW460.36 g/mol
LogP4.63
Rot. Bonds4

About 2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide

2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (PubChem CID 111720624) has the molecular formula C21H25IN4 and a molecular weight of 460.36 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
PubChem CID111720624
Molecular FormulaC21H25IN4
Molecular Weight460.36 g/mol
Exact Mass460.11
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
SMILESI.N/C(=N\CCc1c[nH]c2ccccc12)Nc1cccc2c1CCCC2
InChIInChI=1S/C21H24N4.HI/c22-21(25-20-11-5-7-15-6-1-2-8-17(15)20)23-13-12-16-14-24-19-10-4-3-9-18(16)19;/h3-5,7,9-11,14,24H,1-2,6,8,12-13H2,(H3,22,23,25);1H
InChIKeyDISBWNCTZWTHCK-UHFFFAOYSA-N
XLogP4.63
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.36
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111024581
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024605
2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720832
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
2-pent-3-enyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111813693
2-[2-(6-methyl-2-pyridinyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120662500
2-[2-(5-methylpyrazin-2-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122098435
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
2-(5-methoxypentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721526
3-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 111721263

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide (CID 111720624) is 2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is I.N/C(=N\CCc1c[nH]c2ccccc12)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
The InChIKey is DISBWNCTZWTHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4.HI/c22-21(25-20-11-5-7-15-6-1-2-8-17(15)20)23-13-12-16-14-24-19-10-4-3-9-18(16)19;/h3-5,7,9-11,14,24H,1-2,6,8,12-13H2,(H3,22,23,25);1H.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide?
2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide has a molecular weight of 460.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide is sourced from PubChem (CID 111720624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).