3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine

C13H27N3O3 — CID 109382372

IUPAC3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(\NCCOCCOC)N(C)CC1CCOC1
InChIInChI=1S/C13H27N3O3/c1-14-13(15-5-7-18-9-8-17-3)16(2)10-12-4-6-19-11-12/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyWKVOIHLHVXZZRK-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.19
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine

3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109382372) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109382372
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(\NCCOCCOC)N(C)CC1CCOC1
InChIInChI=1S/C13H27N3O3/c1-14-13(15-5-7-18-9-8-17-3)16(2)10-12-4-6-19-11-12/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyWKVOIHLHVXZZRK-UHFFFAOYSA-N
XLogP0.19
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-Dimethyl-1-(oxolan-3-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109382510
3-Ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109383620
3-Ethyl-2-(3-fluoropropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109384070
3-(3-Fluoropropyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109384465
3-(2-methoxyethoxymethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-1-carboximidamide
CID 111746505
2-(Oxolan-3-ylmethyl)-1-propylguanidine
CID 62363324
2-(2-Methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 62363542
2-(3-Ethoxypropyl)-1-(4-methoxybutyl)-3-(2-methoxyethyl)guanidine
CID 75532516
N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 86778352
(3S)-N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 97852890
(3R)-N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 97852891
1-[(3-Methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104704460

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine (CID 109382372) is 3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine is C/N=C(\NCCOCCOC)N(C)CC1CCOC1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is WKVOIHLHVXZZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-14-13(15-5-7-18-9-8-17-3)16(2)10-12-4-6-19-11-12/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of 3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 273.38 g/mol, XLogP of 0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109382372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).