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

C18H27IN4 — CID 111713681

IUPAC1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/C)NCCc1c[nH]c2ccccc12.I
InChIInChI=1S/C18H26N4.HI/c1-3-6-13-11-17(13)22-18(19-2)20-10-9-14-12-21-16-8-5-4-7-15(14)16;/h4-5,7-8,12-13,17,21H,3,6,9-11H2,1-2H3,(H2,19,20,22);1H
InChIKeyWCYBUHJALCHHHD-UHFFFAOYSA-N
MW426.35 g/mol
LogP3.68
Rot. Bonds6

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

1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide (PubChem CID 111713681) has the molecular formula C18H27IN4 and a molecular weight of 426.35 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
PubChem CID111713681
Molecular FormulaC18H27IN4
Molecular Weight426.35 g/mol
Exact Mass426.13
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(=N/C)NCCc1c[nH]c2ccccc12.I
InChIInChI=1S/C18H26N4.HI/c1-3-6-13-11-17(13)22-18(19-2)20-10-9-14-12-21-16-8-5-4-7-15(14)16;/h4-5,7-8,12-13,17,21H,3,6,9-11H2,1-2H3,(H2,19,20,22);1H
InChIKeyWCYBUHJALCHHHD-UHFFFAOYSA-N
XLogP3.68
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 53.68
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-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111988908
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018200
1-[2-(diethylamino)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110996298
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 75535407
1-butan-2-yl-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110944386
1-(3-ethylsulfinylcyclohexyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 109438355
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-pentylguanidine
CID 111753236
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110996781
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110996658
1-(2-bromoprop-2-enyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 119116749
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110995827
1-(1-butylpiperidin-4-yl)-3-[3-(1H-indol-3-yl)propyl]-2-methylguanidine;hydroiodide
CID 111984656

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide (CID 111713681) is 1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide is CCCC1CC1N/C(=N/C)NCCc1c[nH]c2ccccc12.I.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
The InChIKey is WCYBUHJALCHHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4.HI/c1-3-6-13-11-17(13)22-18(19-2)20-10-9-14-12-21-16-8-5-4-7-15(14)16;/h4-5,7-8,12-13,17,21H,3,6,9-11H2,1-2H3,(H2,19,20,22);1H.
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide?
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide has a molecular weight of 426.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(2-propylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111713681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).