1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide

C19H38IN5O2 — CID 111782092

IUPAC1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide
SMILESCCCCCC(C)N/C(=N/CCCN1C(=O)NC(C)(CC)C1=O)NCC.I
InChIInChI=1S/C19H37N5O2.HI/c1-6-9-10-12-15(4)22-17(20-8-3)21-13-11-14-24-16(25)19(5,7-2)23-18(24)26;/h15H,6-14H2,1-5H3,(H,23,26)(H2,20,21,22);1H
InChIKeySKMCARAAOWKVJL-UHFFFAOYSA-N
MW495.45 g/mol
LogP3.24
Rot. Bonds11

About 1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide

1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide (PubChem CID 111782092) has the molecular formula C19H38IN5O2 and a molecular weight of 495.45 g/mol. Its IUPAC name is 1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide
PubChem CID111782092
Molecular FormulaC19H38IN5O2
Molecular Weight495.45 g/mol
Exact Mass495.21
IUPAC Name1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide
SMILESCCCCCC(C)N/C(=N/CCCN1C(=O)NC(C)(CC)C1=O)NCC.I
InChIInChI=1S/C19H37N5O2.HI/c1-6-9-10-12-15(4)22-17(20-8-3)21-13-11-14-24-16(25)19(5,7-2)23-18(24)26;/h15H,6-14H2,1-5H3,(H,23,26)(H2,20,21,22);1H
InChIKeySKMCARAAOWKVJL-UHFFFAOYSA-N
XLogP3.24
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

1,3-diethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]guanidine;hydroiodide
CID 111121565
1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-prop-2-enylguanidine
CID 136926217
2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111804193
2-[2-(2,6-dioxopiperidin-1-yl)ethyl]-1-ethyl-3-octan-2-ylguanidine
CID 111500405
1-ethyl-3-octan-2-yl-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111212288
1-ethyl-3-heptan-2-yl-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111195219
1-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111782767
N-ethyl-N'-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376781
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-octan-2-ylguanidine;hydroiodide
CID 111212512
1-ethyl-3-heptan-2-yl-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
CID 111195984
1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111785614
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-octan-2-ylguanidine;hydroiodide
CID 111212980

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide (CID 111782092) is 1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide is CCCCCC(C)N/C(=N/CCCN1C(=O)NC(C)(CC)C1=O)NCC.I.
What is the InChIKey of 1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide?
The InChIKey is SKMCARAAOWKVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O2.HI/c1-6-9-10-12-15(4)22-17(20-8-3)21-13-11-14-24-16(25)19(5,7-2)23-18(24)26;/h15H,6-14H2,1-5H3,(H,23,26)(H2,20,21,22);1H.
What are the key properties of 1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide?
1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide has a molecular weight of 495.45 g/mol, XLogP of 3.24, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111782092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).