(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine

C15H24N2O2 — CID 43185548

IUPAC(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccccc1OCCN(CC)CC
InChIInChI=1S/C15H24N2O2/c1-4-14(16-18)13-9-7-8-10-15(13)19-12-11-17(5-2)6-3/h7-10,18H,4-6,11-12H2,1-3H3/b16-14+
InChIKeyONMSVINZIXTGQZ-JQIJEIRASA-N
MW264.37 g/mol
LogP3.00
Rot. Bonds8

About (NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine

(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine (PubChem CID 43185548) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine
PubChem CID43185548
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccccc1OCCN(CC)CC
InChIInChI=1S/C15H24N2O2/c1-4-14(16-18)13-9-7-8-10-15(13)19-12-11-17(5-2)6-3/h7-10,18H,4-6,11-12H2,1-3H3/b16-14+
InChIKeyONMSVINZIXTGQZ-JQIJEIRASA-N
XLogP3.00
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine
CID 54935980
1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-one;hydrobromide
CID 117068814
(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 60893000
1-[2-[2-(diethylamino)ethoxy]phenyl]butan-1-one
CID 30287
(NE)-N-[1-(2-prop-2-ynoxyphenyl)propylidene]hydroxylamine
CID 24695847
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24704040
N-[1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propylidene]hydroxylamine
CID 76905202
(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
CID 43823257
5-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-2,2-dimethylpentanenitrile
CID 77063014
3-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]propane-1,2-diol
CID 82849492
[2-[2-(diethylamino)ethoxy]phenyl]boronic acid
CID 43145279
(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
CID 114528141

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine (CID 43185548) is (NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine is CC/C(=N\O)c1ccccc1OCCN(CC)CC.
What is the InChIKey of (NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine?
The InChIKey is ONMSVINZIXTGQZ-JQIJEIRASA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-14(16-18)13-9-7-8-10-15(13)19-12-11-17(5-2)6-3/h7-10,18H,4-6,11-12H2,1-3H3/b16-14+.
What are the key properties of (NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine?
(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine has a molecular weight of 264.37 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 43185548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).