2-[2-ethoxyethyl(methyl)amino]propanimidamide

C8H19N3O — CID 81055981

IUPAC2-[2-ethoxyethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(C)CCOCC
InChIInChI=1S/C8H19N3O/c1-4-12-6-5-11(3)7(2)8(9)10/h7H,4-6H2,1-3H3,(H3,9,10)
InChIKeyOKYBBIHNTIAQNH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.28
Rot. Bonds6

About 2-[2-ethoxyethyl(methyl)amino]propanimidamide

2-[2-ethoxyethyl(methyl)amino]propanimidamide (PubChem CID 81055981) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(methyl)amino]propanimidamide.

Molecular Properties

Compound Name2-[2-ethoxyethyl(methyl)amino]propanimidamide
PubChem CID81055981
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[2-ethoxyethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(C)CCOCC
InChIInChI=1S/C8H19N3O/c1-4-12-6-5-11(3)7(2)8(9)10/h7H,4-6H2,1-3H3,(H3,9,10)
InChIKeyOKYBBIHNTIAQNH-UHFFFAOYSA-N
XLogP0.28
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
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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Related Compounds

3-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057001
3-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 43457219
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 87620124
1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine
CID 87621187
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]butanimidamide
CID 63224607
2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide
CID 77058097
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
CID 104563650
2-[2-ethoxyethyl(ethyl)amino]ethanimidamide
CID 63697565
1-(1-amino-1-iminopropan-2-yl)-3-ethyl-1,3-dimethylurea
CID 79163244
3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]butanimidamide
CID 63224608
4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 81061737
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanamide
CID 81061651

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(methyl)amino]propanimidamide?
The IUPAC name of 2-[2-ethoxyethyl(methyl)amino]propanimidamide (CID 81055981) is 2-[2-ethoxyethyl(methyl)amino]propanimidamide.
What is the SMILES notation for 2-[2-ethoxyethyl(methyl)amino]propanimidamide?
The canonical SMILES for 2-[2-ethoxyethyl(methyl)amino]propanimidamide is [H]/N=C(\N)C(C)N(C)CCOCC.
What is the InChIKey of 2-[2-ethoxyethyl(methyl)amino]propanimidamide?
The InChIKey is OKYBBIHNTIAQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-4-12-6-5-11(3)7(2)8(9)10/h7H,4-6H2,1-3H3,(H3,9,10).
What are the key properties of 2-[2-ethoxyethyl(methyl)amino]propanimidamide?
2-[2-ethoxyethyl(methyl)amino]propanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(methyl)amino]propanimidamide is sourced from PubChem (CID 81055981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).