1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide

C13H30IN3O — CID 111986944

IUPAC1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
SMILESCCC(CC)CN/C(=N\C)NCC(C)(C)OC.I
InChIInChI=1S/C13H29N3O.HI/c1-7-11(8-2)9-15-12(14-5)16-10-13(3,4)17-6;/h11H,7-10H2,1-6H3,(H2,14,15,16);1H
InChIKeyVYMZTISPAOPSDV-UHFFFAOYSA-N
MW371.31 g/mol
LogP2.63
Rot. Bonds7

About 1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide

1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide (PubChem CID 111986944) has the molecular formula C13H30IN3O and a molecular weight of 371.31 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
PubChem CID111986944
Molecular FormulaC13H30IN3O
Molecular Weight371.31 g/mol
Exact Mass371.14
IUPAC Name1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
SMILESCCC(CC)CN/C(=N\C)NCC(C)(C)OC.I
InChIInChI=1S/C13H29N3O.HI/c1-7-11(8-2)9-15-12(14-5)16-10-13(3,4)17-6;/h11H,7-10H2,1-6H3,(H2,14,15,16);1H
InChIKeyVYMZTISPAOPSDV-UHFFFAOYSA-N
XLogP2.63
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-[2-(dimethylamino)-3-ethylpentyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111607866
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111605188
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111605406
1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111605777
1-[2-(4-ethylpiperazin-1-yl)propyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111605205
1-(2-ethoxyethyl)-3-(2-ethylbutyl)-2-methylguanidine
CID 111891019
methyl 3-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111890872
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111606954
1-butyl-3-(2-ethylbutyl)-2-methylguanidine;hydroiodide
CID 111778360
2-ethyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115757001
1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111606949
3-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111605384

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide (CID 111986944) is 1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide is CCC(CC)CN/C(=N\C)NCC(C)(C)OC.I.
What is the InChIKey of 1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide?
The InChIKey is VYMZTISPAOPSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O.HI/c1-7-11(8-2)9-15-12(14-5)16-10-13(3,4)17-6;/h11H,7-10H2,1-6H3,(H2,14,15,16);1H.
What are the key properties of 1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide?
1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide has a molecular weight of 371.31 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111986944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).