1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide

C10H24IN3O — CID 110965781

IUPAC1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCOC)NC(C)(C)C.I
InChIInChI=1S/C10H23N3O.HI/c1-6-11-9(12-7-8-14-5)13-10(2,3)4;/h6-8H2,1-5H3,(H2,11,12,13);1H
InChIKeyFTZNRJOKGIXHDA-UHFFFAOYSA-N
MW329.23 g/mol
LogP1.60
Rot. Bonds4

About 1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide

1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 110965781) has the molecular formula C10H24IN3O and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID110965781
Molecular FormulaC10H24IN3O
Molecular Weight329.23 g/mol
Exact Mass329.10
IUPAC Name1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCOC)NC(C)(C)C.I
InChIInChI=1S/C10H23N3O.HI/c1-6-11-9(12-7-8-14-5)13-10(2,3)4;/h6-8H2,1-5H3,(H2,11,12,13);1H
InChIKeyFTZNRJOKGIXHDA-UHFFFAOYSA-N
XLogP1.60
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
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

1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 110966967
2-(3-butoxypropyl)-1-tert-butyl-3-ethylguanidine;hydroiodide
CID 110965863
1-ethyl-2-(2-methoxyethyl)-3-(2-methylsulfanylethyl)guanidine
CID 110941554
1-tert-butyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110964776
1-tert-butyl-3-ethyl-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 110965066
1-(4,4-dimethylpentyl)-3-ethyl-2-(3-methoxypropyl)guanidine
CID 111637964
methyl 5-[[(tert-butylamino)-(ethylamino)methylidene]amino]pentanoate
CID 110965081
1-ethyl-2-(2-methoxyethyl)-3-pent-3-enylguanidine
CID 111587817
1-tert-butyl-3-ethyl-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 110967375
1-ethyl-2-(3-methoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111547876
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide (CID 110965781) is 1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide is CCN/C(=N\CCOC)NC(C)(C)C.I.
What is the InChIKey of 1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is FTZNRJOKGIXHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O.HI/c1-6-11-9(12-7-8-14-5)13-10(2,3)4;/h6-8H2,1-5H3,(H2,11,12,13);1H.
What are the key properties of 1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide?
1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 329.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110965781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).