2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine

C10H19N3O2 — CID 155351603

IUPAC2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine
SMILESC=N/C(=N\CCOC)NC1CCOCC1
InChIInChI=1S/C10H19N3O2/c1-11-10(12-5-8-14-2)13-9-3-6-15-7-4-9/h9H,1,3-8H2,2H3,(H,12,13)
InChIKeyMHVAHCJBLAKCBW-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.46
Rot. Bonds4

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

2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine (PubChem CID 155351603) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine
PubChem CID155351603
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine
SMILESC=N/C(=N\CCOC)NC1CCOCC1
InChIInChI=1S/C10H19N3O2/c1-11-10(12-5-8-14-2)13-9-3-6-15-7-4-9/h9H,1,3-8H2,2H3,(H,12,13)
InChIKeyMHVAHCJBLAKCBW-UHFFFAOYSA-N
XLogP0.46
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine?
The IUPAC name of 2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine (CID 155351603) is 2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine.
What is the SMILES notation for 2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine?
The canonical SMILES for 2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine is C=N/C(=N\CCOC)NC1CCOCC1.
What is the InChIKey of 2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine?
The InChIKey is MHVAHCJBLAKCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-11-10(12-5-8-14-2)13-9-3-6-15-7-4-9/h9H,1,3-8H2,2H3,(H,12,13).
What are the key properties of 2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine?
2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine has a molecular weight of 213.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-methylidene-3-(oxan-4-yl)guanidine is sourced from PubChem (CID 155351603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).