1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane

C13H31N3O2 — CID 156839791

IUPAC1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane
SMILESCC.CCCN/C(=N\C)N(CCOC)CCOC
InChIInChI=1S/C11H25N3O2.C2H6/c1-5-6-13-11(12-2)14(7-9-15-3)8-10-16-4;1-2/h5-10H2,1-4H3,(H,12,13);1-2H3
InChIKeyCFCSSXANDSVWOM-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.59
Rot. Bonds8

About 1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane

1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane (PubChem CID 156839791) has the molecular formula C13H31N3O2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane.

Molecular Properties

Compound Name1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane
PubChem CID156839791
Molecular FormulaC13H31N3O2
Molecular Weight261.41 g/mol
Exact Mass261.24
IUPAC Name1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane
SMILESCC.CCCN/C(=N\C)N(CCOC)CCOC
InChIInChI=1S/C11H25N3O2.C2H6/c1-5-6-13-11(12-2)14(7-9-15-3)8-10-16-4;1-2/h5-10H2,1-4H3,(H,12,13);1-2H3
InChIKeyCFCSSXANDSVWOM-UHFFFAOYSA-N
XLogP1.59
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

hDDAH-1-IN-1
CID 46215975
1-[2-[2-Methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109473509
1-[3-[2-Methoxyethyl(methyl)amino]propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474942
1-[3-[2-Methoxyethyl(methyl)amino]propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474943
1-(2-Methoxyethyl)-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 110941607
1-(2-Methoxyethyl)-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 110941608
1-Ethyl-3-(2-methoxyethyl)-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 110941609
1-Ethyl-3-(2-methoxyethyl)-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 110941610
1-(2-Methoxyethyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111544595
1-(2-Ethoxyethyl)-3-ethyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111896437
1-(2-Ethoxyethyl)-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 111896963
[Dimethylamino-(2-methoxyethylamino)methylidene]-dimethylazanium
CID 20688133

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane?
The IUPAC name of 1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane (CID 156839791) is 1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane.
What is the SMILES notation for 1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane?
The canonical SMILES for 1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane is CC.CCCN/C(=N\C)N(CCOC)CCOC.
What is the InChIKey of 1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane?
The InChIKey is CFCSSXANDSVWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2.C2H6/c1-5-6-13-11(12-2)14(7-9-15-3)8-10-16-4;1-2/h5-10H2,1-4H3,(H,12,13);1-2H3.
What are the key properties of 1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane?
1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane has a molecular weight of 261.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane is sourced from PubChem (CID 156839791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).