(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine

C14H21NO2 — CID 82926938

IUPAC(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
SMILESCCC(CC)COc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C14H21NO2/c1-4-12(5-2)10-17-14-8-6-13(7-9-14)11(3)15-16/h6-9,12,16H,4-5,10H2,1-3H3/b15-11+
InChIKeyGDONBSOGIHWADJ-RVDMUPIBSA-N
MW235.33 g/mol
LogP3.70
Rot. Bonds6

About (NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 82926938) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
PubChem CID82926938
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
SMILESCCC(CC)COc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C14H21NO2/c1-4-12(5-2)10-17-14-8-6-13(7-9-14)11(3)15-16/h6-9,12,16H,4-5,10H2,1-3H3/b15-11+
InChIKeyGDONBSOGIHWADJ-RVDMUPIBSA-N
XLogP3.70
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.70
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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Related Compounds

(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
CID 24706297
ethyl 4-(2-ethylbutoxy)benzoate
CID 82926863
ethane;[4-(2-ethylbutoxy)phenyl]-phenylmethanone
CID 143798927
1-(chloromethyl)-4-(2-ethylbutoxy)benzene
CID 82928128
N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 61484376
(NE)-N-[1-[4-[(E)-3-chloroprop-2-enoxy]phenyl]ethylidene]hydroxylamine
CID 24704869
1-(bromomethyl)-4-(2-ethylbutoxy)benzene
CID 82929266
(E)-3-[4-(2-ethylbutoxy)phenyl]-3-phenylprop-2-enoic acid
CID 68864480
(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725509

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine (CID 82926938) is (NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine is CCC(CC)COc1ccc(/C(C)=N/O)cc1.
What is the InChIKey of (NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is GDONBSOGIHWADJ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-12(5-2)10-17-14-8-6-13(7-9-14)11(3)15-16/h6-9,12,16H,4-5,10H2,1-3H3/b15-11+.
What are the key properties of (NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 235.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 82926938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).