1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide

C15H23IN4 — CID 111100810

IUPAC1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCc1c[nH]c2cccc(C)c12.I
InChIInChI=1S/C15H22N4.HI/c1-3-8-17-15(16)18-9-7-12-10-19-13-6-4-5-11(2)14(12)13;/h4-6,10,19H,3,7-9H2,1-2H3,(H3,16,17,18);1H
InChIKeyMGKRNPQIYJCCSL-UHFFFAOYSA-N
MW386.28 g/mol
LogP2.95
Rot. Bonds5

About 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide

1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide (PubChem CID 111100810) has the molecular formula C15H23IN4 and a molecular weight of 386.28 g/mol. Its IUPAC name is 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
PubChem CID111100810
Molecular FormulaC15H23IN4
Molecular Weight386.28 g/mol
Exact Mass386.10
IUPAC Name1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCc1c[nH]c2cccc(C)c12.I
InChIInChI=1S/C15H22N4.HI/c1-3-8-17-15(16)18-9-7-12-10-19-13-6-4-5-11(2)14(12)13;/h4-6,10,19H,3,7-9H2,1-2H3,(H3,16,17,18);1H
InChIKeyMGKRNPQIYJCCSL-UHFFFAOYSA-N
XLogP2.95
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 52.95
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-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111808945
1-(3,4-dimethylphenyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111100822
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide
CID 111129462
1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111100831
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178735
1-(3,4-dimethoxyphenyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111100846
1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111629471
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111202119
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110938671
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111355594

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide?
The IUPAC name of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide (CID 111100810) is 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide is CCC/N=C(\N)NCCc1c[nH]c2cccc(C)c12.I.
What is the InChIKey of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide?
The InChIKey is MGKRNPQIYJCCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.HI/c1-3-8-17-15(16)18-9-7-12-10-19-13-6-4-5-11(2)14(12)13;/h4-6,10,19H,3,7-9H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide?
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide has a molecular weight of 386.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide is sourced from PubChem (CID 111100810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).