1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine

C13H29N3O2 — CID 111605965

IUPAC1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
SMILESC/N=C(\NCCOCC(C)C)NCC(C)(C)OC
InChIInChI=1S/C13H29N3O2/c1-11(2)9-18-8-7-15-12(14-5)16-10-13(3,4)17-6/h11H,7-10H2,1-6H3,(H2,14,15,16)
InChIKeyVFCOWIFYZQTQDH-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.25
Rot. Bonds8

About 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine

1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine (PubChem CID 111605965) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
PubChem CID111605965
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine
SMILESC/N=C(\NCCOCC(C)C)NCC(C)(C)OC
InChIInChI=1S/C13H29N3O2/c1-11(2)9-18-8-7-15-12(14-5)16-10-13(3,4)17-6/h11H,7-10H2,1-6H3,(H2,14,15,16)
InChIKeyVFCOWIFYZQTQDH-UHFFFAOYSA-N
XLogP1.25
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.25
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-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111605777
2-methyl-1-(3-methylbutyl)-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 110977931
2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-propylguanidine;hydroiodide
CID 111227714
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 111606954
1-(2-methoxy-2-methylpropyl)-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111607254
1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401641
1-(5,5-dimethylhexyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111606417
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111320123
1-[3-(cyclopropylmethoxy)propyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111608226
1-(3-cyclopentyloxypropyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111607727
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-propylguanidine
CID 111225563
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111605164

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine (CID 111605965) is 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine is C/N=C(\NCCOCC(C)C)NCC(C)(C)OC.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine?
The InChIKey is VFCOWIFYZQTQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-11(2)9-18-8-7-15-12(14-5)16-10-13(3,4)17-6/h11H,7-10H2,1-6H3,(H2,14,15,16).
What are the key properties of 1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine?
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine has a molecular weight of 259.39 g/mol, XLogP of 1.25, 8 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)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine is sourced from PubChem (CID 111605965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).