1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide

C10H22IN3O2 — CID 110030303

IUPAC1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide
SMILESCOCCOCC/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C10H21N3O2.HI/c1-13(9-3-4-9)10(11)12-5-6-15-8-7-14-2;/h9H,3-8H2,1-2H3,(H2,11,12);1H
InChIKeyIDAPQFKBFISVHD-UHFFFAOYSA-N
MW343.21 g/mol
LogP0.68
Rot. Bonds7

About 1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide (PubChem CID 110030303) has the molecular formula C10H22IN3O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide
PubChem CID110030303
Molecular FormulaC10H22IN3O2
Molecular Weight343.21 g/mol
Exact Mass343.08
IUPAC Name1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide
SMILESCOCCOCC/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C10H21N3O2.HI/c1-13(9-3-4-9)10(11)12-5-6-15-8-7-14-2;/h9H,3-8H2,1-2H3,(H2,11,12);1H
InChIKeyIDAPQFKBFISVHD-UHFFFAOYSA-N
XLogP0.68
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
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

1-cyclopropyl-2-[3-(2-hydroxyethoxy)propyl]-1-methylguanidine
CID 110031930
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 110030278
1-cyclopropyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-methylguanidine;hydroiodide
CID 110030126
1-cyclopropyl-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-1-methylguanidine;hydroiodide
CID 110031647
1-cyclopropyl-1-methyl-2-(2-naphthalen-1-yloxyethyl)guanidine;hydroiodide
CID 110030405
1-cyclopropyl-1-methyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 110029628
1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide
CID 110031921
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
2-[2-(2-tert-butylphenoxy)ethyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031172
1-cyclopropyl-1-methyl-2-[4-(4-methylphenoxy)butyl]guanidine;hydroiodide
CID 110030120
2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
CID 110030438
1-cyclopropyl-1-methyl-2-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]guanidine;hydroiodide
CID 110031641

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide (CID 110030303) is 1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide is COCCOCC/N=C(\N)N(C)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide?
The InChIKey is IDAPQFKBFISVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.HI/c1-13(9-3-4-9)10(11)12-5-6-15-8-7-14-2;/h9H,3-8H2,1-2H3,(H2,11,12);1H.
What are the key properties of 1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide has a molecular weight of 343.21 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110030303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).