3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine

C14H29N3O2 — CID 109381738

IUPAC3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)N(C)CC1CCOC1
InChIInChI=1S/C14H29N3O2/c1-6-15-13(16-11-14(2,3)18-5)17(4)9-12-7-8-19-10-12/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyZUDXUDNFJHBMBV-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.35
Rot. Bonds6

About 3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine

3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109381738) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109381738
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)N(C)CC1CCOC1
InChIInChI=1S/C14H29N3O2/c1-6-15-13(16-11-14(2,3)18-5)17(4)9-12-7-8-19-10-12/h12H,6-11H2,1-5H3,(H,15,16)
InChIKeyZUDXUDNFJHBMBV-UHFFFAOYSA-N
XLogP1.35
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.35
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

1,2-Dimethyl-1-(oxolan-3-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109382509
1,2-Dimethyl-1-(oxolan-3-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109382510
2-(2,2-Difluoroethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383398
3-Ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109383619
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-(2,2-Difluoroethyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386509
1,2-Dimethyl-1-(oxolan-3-ylmethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 120045133
1-Ethyl-2-(oxolan-3-ylmethyl)guanidine
CID 62363105
2-(Oxolan-3-ylmethyl)-1-propylguanidine
CID 62363324
2-(2-Methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
CID 62363542

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine (CID 109381738) is 3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine is CCN/C(=N\CC(C)(C)OC)N(C)CC1CCOC1.
What is the InChIKey of 3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is ZUDXUDNFJHBMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-15-13(16-11-14(2,3)18-5)17(4)9-12-7-8-19-10-12/h12H,6-11H2,1-5H3,(H,15,16).
What are the key properties of 3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 271.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methoxy-2-methylpropyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109381738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).