1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine

C16H29N3O2 — CID 111710967

IUPAC1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine
SMILESCCN/C(=N\CC(OC)C(C)(C)C)NCCc1ccco1
InChIInChI=1S/C16H29N3O2/c1-6-17-15(18-10-9-13-8-7-11-21-13)19-12-14(20-5)16(2,3)4/h7-8,11,14H,6,9-10,12H2,1-5H3,(H2,17,18,19)
InChIKeyLXUNJEMHHDHEEE-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.44
Rot. Bonds7

About 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine (PubChem CID 111710967) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine
PubChem CID111710967
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine
SMILESCCN/C(=N\CC(OC)C(C)(C)C)NCCc1ccco1
InChIInChI=1S/C16H29N3O2/c1-6-17-15(18-10-9-13-8-7-11-21-13)19-12-14(20-5)16(2,3)4/h7-8,11,14H,6,9-10,12H2,1-5H3,(H2,17,18,19)
InChIKeyLXUNJEMHHDHEEE-UHFFFAOYSA-N
XLogP2.44
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
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-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)-3-prop-2-enylguanidine
CID 111710797
1-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)-3-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110050437
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111711473
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354755
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111353544
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354917
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine
CID 111715418
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111711413
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111355524
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
CID 111129563
3-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111354123
2-(2-tert-butylsulfinylethyl)-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111831066

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine (CID 111710967) is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine is CCN/C(=N\CC(OC)C(C)(C)C)NCCc1ccco1.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine?
The InChIKey is LXUNJEMHHDHEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-17-15(18-10-9-13-8-7-11-21-13)19-12-14(20-5)16(2,3)4/h7-8,11,14H,6,9-10,12H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine?
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine has a molecular weight of 295.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine is sourced from PubChem (CID 111710967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).