2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine

C14H27N3O — CID 111491600

IUPAC2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CC(C1CC1)C1CC1)NCCOC
InChIInChI=1S/C14H27N3O/c1-3-15-14(16-8-9-18-2)17-10-13(11-4-5-11)12-6-7-12/h11-13H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyYYOSYAARSWEPHN-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.62
Rot. Bonds8

About 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine

2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine (PubChem CID 111491600) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
PubChem CID111491600
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CC(C1CC1)C1CC1)NCCOC
InChIInChI=1S/C14H27N3O/c1-3-15-14(16-8-9-18-2)17-10-13(11-4-5-11)12-6-7-12/h11-13H,3-10H2,1-2H3,(H2,15,16,17)
InChIKeyYYOSYAARSWEPHN-UHFFFAOYSA-N
XLogP1.62
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110939822
1-butan-2-yl-2-(2,2-dicyclopropylethyl)-3-ethylguanidine
CID 111492016
1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine
CID 111500231
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methoxyethyl)guanidine
CID 111544953
1-ethyl-3-(2-methoxyethyl)-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110939535
1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine
CID 110940944
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 110942554
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 110942553
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
2-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111544898
1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111606699

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine?
The IUPAC name of 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine (CID 111491600) is 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine is CCN/C(=N\CC(C1CC1)C1CC1)NCCOC.
What is the InChIKey of 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine?
The InChIKey is YYOSYAARSWEPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-15-14(16-8-9-18-2)17-10-13(11-4-5-11)12-6-7-12/h11-13H,3-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine?
2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine has a molecular weight of 253.39 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 111491600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).