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

C19H29IN4O — CID 111759670

IUPAC2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCOCC1CC1)NCCc1c[nH]c2ccccc12.I
InChIInChI=1S/C19H28N4O.HI/c1-2-20-19(22-11-12-24-14-15-7-8-15)21-10-9-16-13-23-18-6-4-3-5-17(16)18;/h3-6,13,15,23H,2,7-12,14H2,1H3,(H2,20,21,22);1H
InChIKeyREZFTTHCLRSADY-UHFFFAOYSA-N
MW456.37 g/mol
LogP3.31
Rot. Bonds9

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

2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide (PubChem CID 111759670) has the molecular formula C19H29IN4O and a molecular weight of 456.37 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
PubChem CID111759670
Molecular FormulaC19H29IN4O
Molecular Weight456.37 g/mol
Exact Mass456.14
IUPAC Name2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCOCC1CC1)NCCc1c[nH]c2ccccc12.I
InChIInChI=1S/C19H28N4O.HI/c1-2-20-19(22-11-12-24-14-15-7-8-15)21-10-9-16-13-23-18-6-4-3-5-17(16)18;/h3-6,13,15,23H,2,7-12,14H2,1H3,(H2,20,21,22);1H
InChIKeyREZFTTHCLRSADY-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.37
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-(2-ethoxyethyl)-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 110997457
1-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111983640
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110995650
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111393009
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-propylguanidine
CID 110996369
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110995850
1-ethyl-2-[2-(1H-indol-3-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110996306
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 86992805
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110996661
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110996346
methyl 7-[[ethylamino-[2-(1H-indol-3-yl)ethylamino]methylidene]amino]heptanoate;hydroiodide
CID 110997170
N-[2-[[N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110995873

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide (CID 111759670) is 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCOCC1CC1)NCCc1c[nH]c2ccccc12.I.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The InChIKey is REZFTTHCLRSADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.HI/c1-2-20-19(22-11-12-24-14-15-7-8-15)21-10-9-16-13-23-18-6-4-3-5-17(16)18;/h3-6,13,15,23H,2,7-12,14H2,1H3,(H2,20,21,22);1H.
What are the key properties of 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide?
2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide has a molecular weight of 456.37 g/mol, XLogP of 3.31, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111759670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).