(NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine

C11H16N2O — CID 6876690

IUPAC(NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine
SMILESCCN(CC)c1ccc(/C=N/O)cc1
InChIInChI=1S/C11H16N2O/c1-3-13(4-2)11-7-5-10(6-8-11)9-12-14/h5-9,14H,3-4H2,1-2H3/b12-9+
InChIKeyDHNWBEYWLRLFHM-FMIVXFBMSA-N
MW192.26 g/mol
LogP2.34
Rot. Bonds4

About (NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine

(NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine (PubChem CID 6876690) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine
PubChem CID6876690
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine
SMILESCCN(CC)c1ccc(/C=N/O)cc1
InChIInChI=1S/C11H16N2O/c1-3-13(4-2)11-7-5-10(6-8-11)9-12-14/h5-9,14H,3-4H2,1-2H3/b12-9+
InChIKeyDHNWBEYWLRLFHM-FMIVXFBMSA-N
XLogP2.34
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine (CID 6876690) is (NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine is CCN(CC)c1ccc(/C=N/O)cc1.
What is the InChIKey of (NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine?
The InChIKey is DHNWBEYWLRLFHM-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-13(4-2)11-7-5-10(6-8-11)9-12-14/h5-9,14H,3-4H2,1-2H3/b12-9+.
What are the key properties of (NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine has a molecular weight of 192.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(diethylamino)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6876690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).