3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine

C10H22N4O2 — CID 104884085

IUPAC3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine
SMILESCOCC/N=C(\NN)N(C)C1CCOCC1
InChIInChI=1S/C10H22N4O2/c1-14(9-3-6-16-7-4-9)10(13-11)12-5-8-15-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyJZLMWYLCSDUWAZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.44
Rot. Bonds4

About 3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine

3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine (PubChem CID 104884085) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine.

Molecular Properties

Compound Name3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine
PubChem CID104884085
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine
SMILESCOCC/N=C(\NN)N(C)C1CCOCC1
InChIInChI=1S/C10H22N4O2/c1-14(9-3-6-16-7-4-9)10(13-11)12-5-8-15-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyJZLMWYLCSDUWAZ-UHFFFAOYSA-N
XLogP-0.44
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine?
The IUPAC name of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine (CID 104884085) is 3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine.
What is the SMILES notation for 3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine?
The canonical SMILES for 3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine is COCC/N=C(\NN)N(C)C1CCOCC1.
What is the InChIKey of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine?
The InChIKey is JZLMWYLCSDUWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-14(9-3-6-16-7-4-9)10(13-11)12-5-8-15-2/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine?
3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine has a molecular weight of 230.31 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxyethyl)-1-methyl-1-(oxan-4-yl)guanidine is sourced from PubChem (CID 104884085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).