1-ethyl-1-(2-methoxyethyl)-2-propylguanidine

C9H21N3O — CID 62364781

IUPAC1-ethyl-1-(2-methoxyethyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CC)CCOC
InChIInChI=1S/C9H21N3O/c1-4-6-11-9(10)12(5-2)7-8-13-3/h4-8H2,1-3H3,(H2,10,11)
InChIKeyYQGKPSUTJGHNPR-UHFFFAOYSA-N
MW187.29 g/mol
LogP0.68
Rot. Bonds6

About 1-ethyl-1-(2-methoxyethyl)-2-propylguanidine

1-ethyl-1-(2-methoxyethyl)-2-propylguanidine (PubChem CID 62364781) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-ethyl-1-(2-methoxyethyl)-2-propylguanidine.

Molecular Properties

Compound Name1-ethyl-1-(2-methoxyethyl)-2-propylguanidine
PubChem CID62364781
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-ethyl-1-(2-methoxyethyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CC)CCOC
InChIInChI=1S/C9H21N3O/c1-4-6-11-9(10)12(5-2)7-8-13-3/h4-8H2,1-3H3,(H2,10,11)
InChIKeyYQGKPSUTJGHNPR-UHFFFAOYSA-N
XLogP0.68
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 50.68
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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Related Compounds

1-ethyl-1,2-dipropylguanidine
CID 62359189
1-butyl-1-ethyl-2-propylguanidine
CID 62360301
1-(2-cyanoethyl)-1-ethyl-2-propylguanidine
CID 62364332
3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
CID 104884542
2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
CID 111022676
N-ethyl-N-(2-methoxyethyl)-N'-methylethanimidamide
CID 144955256
1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine
CID 62363683
(E)-N-ethyl-N-(2-methoxyethyl)but-2-en-2-amine
CID 138661036
2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine
CID 62364543
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601
3-amino-1,1,2-tris(2-methoxyethyl)guanidine
CID 104885360
2-[[amino(diethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111037001

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-methoxyethyl)-2-propylguanidine?
The IUPAC name of 1-ethyl-1-(2-methoxyethyl)-2-propylguanidine (CID 62364781) is 1-ethyl-1-(2-methoxyethyl)-2-propylguanidine.
What is the SMILES notation for 1-ethyl-1-(2-methoxyethyl)-2-propylguanidine?
The canonical SMILES for 1-ethyl-1-(2-methoxyethyl)-2-propylguanidine is CCC/N=C(\N)N(CC)CCOC.
What is the InChIKey of 1-ethyl-1-(2-methoxyethyl)-2-propylguanidine?
The InChIKey is YQGKPSUTJGHNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-4-6-11-9(10)12(5-2)7-8-13-3/h4-8H2,1-3H3,(H2,10,11).
What are the key properties of 1-ethyl-1-(2-methoxyethyl)-2-propylguanidine?
1-ethyl-1-(2-methoxyethyl)-2-propylguanidine has a molecular weight of 187.29 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methoxyethyl)-2-propylguanidine is sourced from PubChem (CID 62364781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).