1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

C16H23IN4 — CID 111092547

IUPAC1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCc1c[nH]c2cc(C)ccc12.I
InChIInChI=1S/C16H22N4.HI/c1-11(2)9-20-16(17)18-7-6-13-10-19-15-8-12(3)4-5-14(13)15;/h4-5,8,10,19H,1,6-7,9H2,2-3H3,(H3,17,18,20);1H
InChIKeyRBMLBQLWWSWNID-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.12
Rot. Bonds5

About 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide

1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 111092547) has the molecular formula C16H23IN4 and a molecular weight of 398.29 g/mol. Its IUPAC name is 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID111092547
Molecular FormulaC16H23IN4
Molecular Weight398.29 g/mol
Exact Mass398.10
IUPAC Name1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCc1c[nH]c2cc(C)ccc12.I
InChIInChI=1S/C16H22N4.HI/c1-11(2)9-20-16(17)18-7-6-13-10-19-15-8-12(3)4-5-14(13)15;/h4-5,8,10,19H,1,6-7,9H2,2-3H3,(H3,17,18,20);1H
InChIKeyRBMLBQLWWSWNID-UHFFFAOYSA-N
XLogP3.12
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.12
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111034980
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127001
N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934410
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111715607
2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine
CID 111092490
4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51103594
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111608451
2-(3-ethoxypropyl)-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111222952
N,N-dimethyl-3-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111973793
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 111505645

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 111092547) is 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)C/N=C(\N)NCCc1c[nH]c2cc(C)ccc12.I.
What is the InChIKey of 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is RBMLBQLWWSWNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.HI/c1-11(2)9-20-16(17)18-7-6-13-10-19-15-8-12(3)4-5-14(13)15;/h4-5,8,10,19H,1,6-7,9H2,2-3H3,(H3,17,18,20);1H.
What are the key properties of 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 398.29 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 111092547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).