2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide

C7H18IN3O2 — CID 175829054

IUPAC2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide
SMILESCCOCCOCCN=C(N)N.I
InChIInChI=1S/C7H17N3O2.HI/c1-2-11-5-6-12-4-3-10-7(8)9;/h2-6H2,1H3,(H4,8,9,10);1H
InChIKeyAEBPTOJBKUZWEP-UHFFFAOYSA-N
MW303.14 g/mol
LogP-0.07
Rot. Bonds7

About 2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide

2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide (PubChem CID 175829054) has the molecular formula C7H18IN3O2 and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide
PubChem CID175829054
Molecular FormulaC7H18IN3O2
Molecular Weight303.14 g/mol
Exact Mass303.04
IUPAC Name2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide
SMILESCCOCCOCCN=C(N)N.I
InChIInChI=1S/C7H17N3O2.HI/c1-2-11-5-6-12-4-3-10-7(8)9;/h2-6H2,1H3,(H4,8,9,10);1H
InChIKeyAEBPTOJBKUZWEP-UHFFFAOYSA-N
XLogP-0.07
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-(2-ethoxyethyl)ethanimidamide
CID 63173013
2-[2-(diaminomethylideneamino)ethoxy]ethyl acetate
CID 18681322
2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine
CID 58517388
2-[2-(diaminomethylideneamino)ethoxy]acetamide
CID 106238016
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
2-(2-prop-2-ynoxyethyl)guanidine
CID 130976126
1-carbamimidoyl-2-(2-ethoxyethyl)guanidine
CID 176530165
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
2-[2-(2-hydroxypropan-2-yloxy)ethyl]guanidine
CID 118327794
(2S)-5-(diaminomethylideneamino)-2-(2-ethoxyethoxycarbonylamino)pentanoic acid
CID 54043745
1,2-diethoxyethane;hydrofluoride
CID 175535770

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide (CID 175829054) is 2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide is CCOCCOCCN=C(N)N.I.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide?
The InChIKey is AEBPTOJBKUZWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2.HI/c1-2-11-5-6-12-4-3-10-7(8)9;/h2-6H2,1H3,(H4,8,9,10);1H.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide?
2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide has a molecular weight of 303.14 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 175829054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).