2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide

C10H25IN4O — CID 110922455

IUPAC2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCOCCN(C)CC/N=C(\N)NC(C)C.I
InChIInChI=1S/C10H24N4O.HI/c1-9(2)13-10(11)12-5-6-14(3)7-8-15-4;/h9H,5-8H2,1-4H3,(H3,11,12,13);1H
InChIKeyFILKDPAMALUIHA-UHFFFAOYSA-N
MW344.24 g/mol
LogP0.50
Rot. Bonds7

About 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide

2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 110922455) has the molecular formula C10H25IN4O and a molecular weight of 344.24 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID110922455
Molecular FormulaC10H25IN4O
Molecular Weight344.24 g/mol
Exact Mass344.11
IUPAC Name2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCOCCN(C)CC/N=C(\N)NC(C)C.I
InChIInChI=1S/C10H24N4O.HI/c1-9(2)13-10(11)12-5-6-14(3)7-8-15-4;/h9H,5-8H2,1-4H3,(H3,11,12,13);1H
InChIKeyFILKDPAMALUIHA-UHFFFAOYSA-N
XLogP0.50
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912003
2-[2-[butan-2-yl(methyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096379
2-[3-(2-methoxyethoxy)propyl]-1-propan-2-ylguanidine
CID 103646281
2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111092837
2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111099233
2-[2-[ethyl(propyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111600579
2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111600581
1-butyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111066546
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111096550
2-[4-(diethylamino)butyl]-1-propan-2-ylguanidine;hydroiodide
CID 111059974
2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111066570
1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111066563

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide (CID 110922455) is 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide is COCCN(C)CC/N=C(\N)NC(C)C.I.
What is the InChIKey of 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is FILKDPAMALUIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O.HI/c1-9(2)13-10(11)12-5-6-14(3)7-8-15-4;/h9H,5-8H2,1-4H3,(H3,11,12,13);1H.
What are the key properties of 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide?
2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 344.24 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 110922455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).