(NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine

C14H22N2O2 — CID 97356315

IUPAC(NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine
SMILESCCN(CC)CCCOc1ccc(/C=N\O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-16(4-2)10-5-11-18-14-8-6-13(7-9-14)12-15-17/h6-9,12,17H,3-5,10-11H2,1-2H3/b15-12-
InChIKeyISIUOEMESFTSTE-QINSGFPZSA-N
MW250.34 g/mol
LogP2.61
Rot. Bonds8

About (NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine

(NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine (PubChem CID 97356315) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine
PubChem CID97356315
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine
SMILESCCN(CC)CCCOc1ccc(/C=N\O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-16(4-2)10-5-11-18-14-8-6-13(7-9-14)12-15-17/h6-9,12,17H,3-5,10-11H2,1-2H3/b15-12-
InChIKeyISIUOEMESFTSTE-QINSGFPZSA-N
XLogP2.61
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.61
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine
CID 14425923
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
(NE)-N-[[1-[2-(diethylamino)ethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
CID 135897231
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
methyl 4-[3-(diethylamino)propoxy]benzoate
CID 18508138
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
CID 115666232
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine (CID 97356315) is (NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine is CCN(CC)CCCOc1ccc(/C=N\O)cc1.
What is the InChIKey of (NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is ISIUOEMESFTSTE-QINSGFPZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16(4-2)10-5-11-18-14-8-6-13(7-9-14)12-15-17/h6-9,12,17H,3-5,10-11H2,1-2H3/b15-12-.
What are the key properties of (NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine?
(NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 250.34 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-[3-(diethylamino)propoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 97356315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).