(1E)-1-(2-ethoxyethoxyimino)propan-2-amine

C7H16N2O2 — CID 58684899

IUPAC(1E)-1-(2-ethoxyethoxyimino)propan-2-amine
SMILESCCOCCO/N=C/C(C)N
InChIInChI=1S/C7H16N2O2/c1-3-10-4-5-11-9-6-7(2)8/h6-7H,3-5,8H2,1-2H3/b9-6+
InChIKeyXYNWDHSRODEFRH-RMKNXTFCSA-N
MW160.22 g/mol
LogP0.37
Rot. Bonds6

About (1E)-1-(2-ethoxyethoxyimino)propan-2-amine

(1E)-1-(2-ethoxyethoxyimino)propan-2-amine (PubChem CID 58684899) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (1E)-1-(2-ethoxyethoxyimino)propan-2-amine.

Molecular Properties

Compound Name(1E)-1-(2-ethoxyethoxyimino)propan-2-amine
PubChem CID58684899
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(1E)-1-(2-ethoxyethoxyimino)propan-2-amine
SMILESCCOCCO/N=C/C(C)N
InChIInChI=1S/C7H16N2O2/c1-3-10-4-5-11-9-6-7(2)8/h6-7H,3-5,8H2,1-2H3/b9-6+
InChIKeyXYNWDHSRODEFRH-RMKNXTFCSA-N
XLogP0.37
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1E)-1-(2-ethoxyethoxyimino)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-1-butoxyiminopropan-2-amine
CID 58684780
(3E)-3-(2-ethoxyethoxyimino)propan-1-amine
CID 58684278
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
1,2-diethoxyethane;ethenamine
CID 160675526
3-(2-ethoxyethoxy)butan-2-amine
CID 61354172
1,2-diethoxyethane;hydrofluoride
CID 175535770
(1E)-1-[(4-fluorophenyl)methoxyimino]propan-2-amine
CID 58684892
sodium;1,2-diethoxyethane;hydride
CID 174903036
1,2-diethoxyethane;ethene
CID 158825770
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2-ethoxyethoxyimino)propan-2-amine?
The IUPAC name of (1E)-1-(2-ethoxyethoxyimino)propan-2-amine (CID 58684899) is (1E)-1-(2-ethoxyethoxyimino)propan-2-amine.
What is the SMILES notation for (1E)-1-(2-ethoxyethoxyimino)propan-2-amine?
The canonical SMILES for (1E)-1-(2-ethoxyethoxyimino)propan-2-amine is CCOCCO/N=C/C(C)N.
What is the InChIKey of (1E)-1-(2-ethoxyethoxyimino)propan-2-amine?
The InChIKey is XYNWDHSRODEFRH-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-10-4-5-11-9-6-7(2)8/h6-7H,3-5,8H2,1-2H3/b9-6+.
What are the key properties of (1E)-1-(2-ethoxyethoxyimino)propan-2-amine?
(1E)-1-(2-ethoxyethoxyimino)propan-2-amine has a molecular weight of 160.22 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2-ethoxyethoxyimino)propan-2-amine is sourced from PubChem (CID 58684899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).