1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine

C10H23N3O2 — CID 111605777

IUPAC1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NCC(C)(C)OC
InChIInChI=1S/C10H23N3O2/c1-10(2,15-5)8-13-9(11-3)12-6-7-14-4/h6-8H2,1-5H3,(H2,11,12,13)
InChIKeyPWOPYMWZTARTMO-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.22
Rot. Bonds6

About 1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine

1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine (PubChem CID 111605777) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
PubChem CID111605777
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NCC(C)(C)OC
InChIInChI=1S/C10H23N3O2/c1-10(2,15-5)8-13-9(11-3)12-6-7-14-4/h6-8H2,1-5H3,(H2,11,12,13)
InChIKeyPWOPYMWZTARTMO-UHFFFAOYSA-N
XLogP0.22
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.22
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'}

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Related Compounds

1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111607254
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111605965
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941480
1-(5,5-dimethylhexyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111606417
1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939828
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111606954
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111605164
1-[2-(4-bromophenoxy)ethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111608477
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111605309
1-[2-(methanesulfonamido)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111779047
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine (CID 111605777) is 1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine is C/N=C(\NCCOC)NCC(C)(C)OC.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine?
The InChIKey is PWOPYMWZTARTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-10(2,15-5)8-13-9(11-3)12-6-7-14-4/h6-8H2,1-5H3,(H2,11,12,13).
What are the key properties of 1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine?
1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine has a molecular weight of 217.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine is sourced from PubChem (CID 111605777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).