3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine

C8H20N4O — CID 104882409

IUPAC3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine
SMILESC/N=C(\NN)N(CCOC)C(C)C
InChIInChI=1S/C8H20N4O/c1-7(2)12(5-6-13-4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyHNXCABLFDRESAE-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.21
Rot. Bonds4

About 3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine

3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine (PubChem CID 104882409) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine.

Molecular Properties

Compound Name3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine
PubChem CID104882409
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine
SMILESC/N=C(\NN)N(CCOC)C(C)C
InChIInChI=1S/C8H20N4O/c1-7(2)12(5-6-13-4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11)
InChIKeyHNXCABLFDRESAE-UHFFFAOYSA-N
XLogP-0.21
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine?
The IUPAC name of 3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine (CID 104882409) is 3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine.
What is the SMILES notation for 3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine?
The canonical SMILES for 3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine is C/N=C(\NN)N(CCOC)C(C)C.
What is the InChIKey of 3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine?
The InChIKey is HNXCABLFDRESAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-7(2)12(5-6-13-4)8(10-3)11-9/h7H,5-6,9H2,1-4H3,(H,10,11).
What are the key properties of 3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine?
3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine has a molecular weight of 188.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxyethyl)-2-methyl-1-propan-2-ylguanidine is sourced from PubChem (CID 104882409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).