1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide

C16H25IN4 — CID 111464833

IUPAC1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CCc1c[nH]c2c(C)cccc12.I
InChIInChI=1S/C16H24N4.HI/c1-4-12(3)20-16(17)18-9-8-13-10-19-15-11(2)6-5-7-14(13)15;/h5-7,10,12,19H,4,8-9H2,1-3H3,(H3,17,18,20);1H
InChIKeyRQXBCLRSVBBCDY-UHFFFAOYSA-N
MW400.31 g/mol
LogP3.34
Rot. Bonds5

About 1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide

1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide (PubChem CID 111464833) has the molecular formula C16H25IN4 and a molecular weight of 400.31 g/mol. Its IUPAC name is 1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
PubChem CID111464833
Molecular FormulaC16H25IN4
Molecular Weight400.31 g/mol
Exact Mass400.11
IUPAC Name1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CCc1c[nH]c2c(C)cccc12.I
InChIInChI=1S/C16H24N4.HI/c1-4-12(3)20-16(17)18-9-8-13-10-19-15-11(2)6-5-7-14(13)15;/h5-7,10,12,19H,4,8-9H2,1-3H3,(H3,17,18,20);1H
InChIKeyRQXBCLRSVBBCDY-UHFFFAOYSA-N
XLogP3.34
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 53.34
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

1-butan-2-yl-2-[2-(7-ethyl-1H-indol-3-yl)ethyl]guanidine
CID 111117715
1-butan-2-yl-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
CID 122081856
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111808945
1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111808947
1-butan-2-yl-2-[2-(2,4-dimethylphenyl)ethyl]guanidine;hydroiodide
CID 110921044
N'-[2-(7-methyl-1H-indol-3-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111808934
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
1-butan-2-yl-2-[2-(2-chlorophenyl)ethyl]guanidine
CID 110920367
1-butan-2-yl-2-[(2-methylphenyl)methyl]guanidine
CID 110919328
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111781702
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide
CID 170339447

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide (CID 111464833) is 1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide is CCC(C)N/C(N)=N/CCc1c[nH]c2c(C)cccc12.I.
What is the InChIKey of 1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The InChIKey is RQXBCLRSVBBCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4.HI/c1-4-12(3)20-16(17)18-9-8-13-10-19-15-11(2)6-5-7-14(13)15;/h5-7,10,12,19H,4,8-9H2,1-3H3,(H3,17,18,20);1H.
What are the key properties of 1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide has a molecular weight of 400.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111464833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).