N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine

C12H17NO2 — CID 74865969

IUPACN-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
SMILESCCCCOc1ccc(C(C)=NO)cc1
InChIInChI=1S/C12H17NO2/c1-3-4-9-15-12-7-5-11(6-8-12)10(2)13-14/h5-8,14H,3-4,9H2,1-2H3
InChIKeyIFORIAZSCKJRFV-UHFFFAOYSA-N
MW207.27 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine

N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine (PubChem CID 74865969) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
PubChem CID74865969
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
SMILESCCCCOc1ccc(C(C)=NO)cc1
InChIInChI=1S/C12H17NO2/c1-3-4-9-15-12-7-5-11(6-8-12)10(2)13-14/h5-8,14H,3-4,9H2,1-2H3
InChIKeyIFORIAZSCKJRFV-UHFFFAOYSA-N
XLogP3.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl] 4-pentoxybenzoate
CID 177411555
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
(NE)-N-[1-[4-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457224
[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl] 4-octoxybenzoate
CID 43835949
(NE)-N-[1-[4-(2-propylsulfonylethoxy)phenyl]ethylidene]hydroxylamine
CID 106725509
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N-[1-[4-(2-cyclopropylethoxy)phenyl]ethylidene]hydroxylamine
CID 77073927
(NE)-N-[1-[4-(2-ethylbutoxy)phenyl]ethylidene]hydroxylamine
CID 82926938
(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
CID 103033958
4-[5-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]pentoxy]benzenecarboximidamide
CID 59159964
(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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine (CID 74865969) is N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine is CCCCOc1ccc(C(C)=NO)cc1.
What is the InChIKey of N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is IFORIAZSCKJRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-4-9-15-12-7-5-11(6-8-12)10(2)13-14/h5-8,14H,3-4,9H2,1-2H3.
What are the key properties of N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine?
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 207.27 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 74865969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).