(3E)-3-(2-ethoxyethoxyimino)propan-1-amine

C7H16N2O2 — CID 58684278

IUPAC(3E)-3-(2-ethoxyethoxyimino)propan-1-amine
SMILESCCOCCO/N=C/CCN
InChIInChI=1S/C7H16N2O2/c1-2-10-6-7-11-9-5-3-4-8/h5H,2-4,6-8H2,1H3/b9-5+
InChIKeyBGSUFTUETKEYJI-WEVVVXLNSA-N
MW160.22 g/mol
LogP0.37
Rot. Bonds7

About (3E)-3-(2-ethoxyethoxyimino)propan-1-amine

(3E)-3-(2-ethoxyethoxyimino)propan-1-amine (PubChem CID 58684278) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (3E)-3-(2-ethoxyethoxyimino)propan-1-amine.

Molecular Properties

Compound Name(3E)-3-(2-ethoxyethoxyimino)propan-1-amine
PubChem CID58684278
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(3E)-3-(2-ethoxyethoxyimino)propan-1-amine
SMILESCCOCCO/N=C/CCN
InChIInChI=1S/C7H16N2O2/c1-2-10-6-7-11-9-5-3-4-8/h5H,2-4,6-8H2,1H3/b9-5+
InChIKeyBGSUFTUETKEYJI-WEVVVXLNSA-N
XLogP0.37
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'}

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Related Compounds

(1E)-1-(2-ethoxyethoxyimino)propan-2-amine
CID 58684899
(3E)-3-but-2-ynoxyiminopropan-1-amine
CID 58684293
3-[(E)-propylideneamino]oxypropan-1-amine
CID 58685004
4-ethoxybutoxymethanamine
CID 87914089
1,2-diethoxyethane;ethenamine
CID 160675526
4-ethoxybutan-1-amine;hydrochloride
CID 87771260
2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365297
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
1,2-diethoxyethane;hydrofluoride
CID 175535770
(E)-N-pentoxypentan-1-imine
CID 18714719
ethane;2-[2-[2-(3-ethoxypropoxy)ethoxy]ethoxy]ethanamine;molecular hydrogen
CID 142368872
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-ethoxyethoxyimino)propan-1-amine?
The IUPAC name of (3E)-3-(2-ethoxyethoxyimino)propan-1-amine (CID 58684278) is (3E)-3-(2-ethoxyethoxyimino)propan-1-amine.
What is the SMILES notation for (3E)-3-(2-ethoxyethoxyimino)propan-1-amine?
The canonical SMILES for (3E)-3-(2-ethoxyethoxyimino)propan-1-amine is CCOCCO/N=C/CCN.
What is the InChIKey of (3E)-3-(2-ethoxyethoxyimino)propan-1-amine?
The InChIKey is BGSUFTUETKEYJI-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-2-10-6-7-11-9-5-3-4-8/h5H,2-4,6-8H2,1H3/b9-5+.
What are the key properties of (3E)-3-(2-ethoxyethoxyimino)propan-1-amine?
(3E)-3-(2-ethoxyethoxyimino)propan-1-amine has a molecular weight of 160.22 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-ethoxyethoxyimino)propan-1-amine is sourced from PubChem (CID 58684278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).