1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine

C8H19N3O — CID 62358600

IUPAC1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESCCN(/C(N)=N/C)C(C)COC
InChIInChI=1S/C8H19N3O/c1-5-11(8(9)10-3)7(2)6-12-4/h7H,5-6H2,1-4H3,(H2,9,10)
InChIKeyLQIHUYKJAAONKQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.29
Rot. Bonds4

About 1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine

1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine (PubChem CID 62358600) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine
PubChem CID62358600
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine
SMILESCCN(/C(N)=N/C)C(C)COC
InChIInChI=1S/C8H19N3O/c1-5-11(8(9)10-3)7(2)6-12-4/h7H,5-6H2,1-4H3,(H2,9,10)
InChIKeyLQIHUYKJAAONKQ-UHFFFAOYSA-N
XLogP0.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine?
The IUPAC name of 1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine (CID 62358600) is 1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine.
What is the SMILES notation for 1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine?
The canonical SMILES for 1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine is CCN(/C(N)=N/C)C(C)COC.
What is the InChIKey of 1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine?
The InChIKey is LQIHUYKJAAONKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-5-11(8(9)10-3)7(2)6-12-4/h7H,5-6H2,1-4H3,(H2,9,10).
What are the key properties of 1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine?
1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine has a molecular weight of 173.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(1-methoxypropan-2-yl)-2-methylguanidine is sourced from PubChem (CID 62358600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).