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

C18H29IN4 — CID 111129462

IUPAC2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide
SMILESCCCCCN/C(=N\C)NCCc1c[nH]c2cccc(C)c12.I
InChIInChI=1S/C18H28N4.HI/c1-4-5-6-11-20-18(19-3)21-12-10-15-13-22-16-9-7-8-14(2)17(15)16;/h7-9,13,22H,4-6,10-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyGMAQCYXTAMODQS-UHFFFAOYSA-N
MW428.36 g/mol
LogP3.99
Rot. Bonds7

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

2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide (PubChem CID 111129462) has the molecular formula C18H29IN4 and a molecular weight of 428.36 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide
PubChem CID111129462
Molecular FormulaC18H29IN4
Molecular Weight428.36 g/mol
Exact Mass428.14
IUPAC Name2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide
SMILESCCCCCN/C(=N\C)NCCc1c[nH]c2cccc(C)c12.I
InChIInChI=1S/C18H28N4.HI/c1-4-5-6-11-20-18(19-3)21-12-10-15-13-22-16-9-7-8-14(2)17(15)16;/h7-9,13,22H,4-6,10-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyGMAQCYXTAMODQS-UHFFFAOYSA-N
XLogP3.99
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

tert-butyl N-[3-[[N'-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111887478
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111607766
1-[(4-fluorophenyl)methyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111233507
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260288
1-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111559026
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
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2-[[butylamino-[2-(4-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365939
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111652674
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(1-phenylethyl)guanidine
CID 110949844
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-pentylguanidine
CID 111753236
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 109430745
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide (CID 111129462) is 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide is CCCCCN/C(=N\C)NCCc1c[nH]c2cccc(C)c12.I.
What is the InChIKey of 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide?
The InChIKey is GMAQCYXTAMODQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4.HI/c1-4-5-6-11-20-18(19-3)21-12-10-15-13-22-16-9-7-8-14(2)17(15)16;/h7-9,13,22H,4-6,10-12H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide?
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide has a molecular weight of 428.36 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-pentylguanidine;hydroiodide is sourced from PubChem (CID 111129462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).