2-[2-ethoxyethyl(ethyl)amino]ethanimidamide

C8H19N3O — CID 63697565

IUPAC2-[2-ethoxyethyl(ethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CC)CCOCC
InChIInChI=1S/C8H19N3O/c1-3-11(7-8(9)10)5-6-12-4-2/h3-7H2,1-2H3,(H3,9,10)
InChIKeyQWMFPFXQZAKZGS-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.28
Rot. Bonds7

About 2-[2-ethoxyethyl(ethyl)amino]ethanimidamide

2-[2-ethoxyethyl(ethyl)amino]ethanimidamide (PubChem CID 63697565) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(ethyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[2-ethoxyethyl(ethyl)amino]ethanimidamide
PubChem CID63697565
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[2-ethoxyethyl(ethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(CC)CCOCC
InChIInChI=1S/C8H19N3O/c1-3-11(7-8(9)10)5-6-12-4-2/h3-7H2,1-2H3,(H3,9,10)
InChIKeyQWMFPFXQZAKZGS-UHFFFAOYSA-N
XLogP0.28
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

2-(diethylamino)ethanimidamide
CID 3259588
4-[bis(2-ethoxyethyl)amino]butanimidamide
CID 82951501
3-[2-ethoxyethyl(methyl)amino]propanimidamide
CID 43457219
2-(2-ethoxyethoxy)ethanimidamide
CID 24707447
1,1-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]guanidine
CID 87621187
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanimidamide
CID 79387290
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-methylguanidine
CID 87620124
3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718
N,N-bis(2-ethoxyethyl)butanimidamide
CID 82959932
2-[[4-[[4-[(dipropylamino)methyl]phenyl]methoxymethyl]phenyl]methyl-ethylamino]ethanimidamide
CID 88975916
2-[bis(2-hydroxyethyl)amino]ethanimidamide
CID 61236367

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]ethanimidamide?
The IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]ethanimidamide (CID 63697565) is 2-[2-ethoxyethyl(ethyl)amino]ethanimidamide.
What is the SMILES notation for 2-[2-ethoxyethyl(ethyl)amino]ethanimidamide?
The canonical SMILES for 2-[2-ethoxyethyl(ethyl)amino]ethanimidamide is [H]/N=C(\N)CN(CC)CCOCC.
What is the InChIKey of 2-[2-ethoxyethyl(ethyl)amino]ethanimidamide?
The InChIKey is QWMFPFXQZAKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-11(7-8(9)10)5-6-12-4-2/h3-7H2,1-2H3,(H3,9,10).
What are the key properties of 2-[2-ethoxyethyl(ethyl)amino]ethanimidamide?
2-[2-ethoxyethyl(ethyl)amino]ethanimidamide has a molecular weight of 173.26 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(ethyl)amino]ethanimidamide is sourced from PubChem (CID 63697565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).