1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide

C13H30IN3O2 — CID 111607254

IUPAC1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCCCOC)NCC(C)(C)OC.I
InChIInChI=1S/C13H29N3O2.HI/c1-13(2,18-5)11-16-12(14-3)15-9-7-6-8-10-17-4;/h6-11H2,1-5H3,(H2,14,15,16);1H
InChIKeyKVBNTRBMJVILOL-UHFFFAOYSA-N
MW387.31 g/mol
LogP2.01
Rot. Bonds9

About 1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide

1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide (PubChem CID 111607254) has the molecular formula C13H30IN3O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
PubChem CID111607254
Molecular FormulaC13H30IN3O2
Molecular Weight387.31 g/mol
Exact Mass387.14
IUPAC Name1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCCCCOC)NCC(C)(C)OC.I
InChIInChI=1S/C13H29N3O2.HI/c1-13(2,18-5)11-16-12(14-3)15-9-7-6-8-10-17-4;/h6-11H2,1-5H3,(H2,14,15,16);1H
InChIKeyKVBNTRBMJVILOL-UHFFFAOYSA-N
XLogP2.01
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.01
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

1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111605777
1-(5,5-dimethylhexyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111606417
methyl 6-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111607172
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111606954
1-hexyl-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111161626
ethyl 7-[[N-(2-methoxy-2-methylpropyl)-N'-methylcarbamimidoyl]amino]heptanoate;hydroiodide
CID 111606744
1-(3-cyclopentyloxypropyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111607727
1-[3-(cyclopropylmethoxy)propyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111608226
1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110980690
1-[2-(tert-butylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111759102
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111605164
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111605965

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide (CID 111607254) is 1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide is C/N=C(\NCCCCCOC)NCC(C)(C)OC.I.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide?
The InChIKey is KVBNTRBMJVILOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2.HI/c1-13(2,18-5)11-16-12(14-3)15-9-7-6-8-10-17-4;/h6-11H2,1-5H3,(H2,14,15,16);1H.
What are the key properties of 1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide?
1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111607254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).