(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine

C14H21NO3 — CID 103033958

IUPAC(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
SMILESCOC(C)(C)CCOc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C14H21NO3/c1-11(15-16)12-5-7-13(8-6-12)18-10-9-14(2,3)17-4/h5-8,16H,9-10H2,1-4H3/b15-11+
InChIKeyFSKVYKXJRRMLIH-RVDMUPIBSA-N
MW251.33 g/mol
LogP3.08
Rot. Bonds6

About (NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 103033958) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
PubChem CID103033958
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
SMILESCOC(C)(C)CCOc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C14H21NO3/c1-11(15-16)12-5-7-13(8-6-12)18-10-9-14(2,3)17-4/h5-8,16H,9-10H2,1-4H3/b15-11+
InChIKeyFSKVYKXJRRMLIH-RVDMUPIBSA-N
XLogP3.08
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.08
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

N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033917
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine
CID 77073927
1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
CID 102974966
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725509
1-[4-(3-methoxy-3-methylbutoxy)phenyl]-N-methylethanamine
CID 103032686
(NE)-N-[1-[4-(2-methylprop-2-enoxy)phenyl]ethylidene]hydroxylamine
CID 24706297
N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 61484376
3-(3-methoxy-3-methylbutoxy)phenol
CID 59527181
(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
CID 82926938

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine (CID 103033958) is (NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine is COC(C)(C)CCOc1ccc(/C(C)=N/O)cc1.
What is the InChIKey of (NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is FSKVYKXJRRMLIH-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(15-16)12-5-7-13(8-6-12)18-10-9-14(2,3)17-4/h5-8,16H,9-10H2,1-4H3/b15-11+.
What are the key properties of (NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 251.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 103033958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).