(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine

C16H23NO2 — CID 43093796

IUPAC(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1ccc(OC2CCCCC2)cc1)=N\O
InChIInChI=1S/C16H23NO2/c1-13(17-18)7-8-14-9-11-16(12-10-14)19-15-5-3-2-4-6-15/h9-12,15,18H,2-8H2,1H3/b17-13+
InChIKeyMIHRXTNJKHVBCY-GHRIWEEISA-N
MW261.37 g/mol
LogP4.18
Rot. Bonds5

About (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine

(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine (PubChem CID 43093796) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine
PubChem CID43093796
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1ccc(OC2CCCCC2)cc1)=N\O
InChIInChI=1S/C16H23NO2/c1-13(17-18)7-8-14-9-11-16(12-10-14)19-15-5-3-2-4-6-15/h9-12,15,18H,2-8H2,1H3/b17-13+
InChIKeyMIHRXTNJKHVBCY-GHRIWEEISA-N
XLogP4.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.18
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'}

Analyze (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(oxan-4-yloxy)phenyl]butan-2-ylidene]hydroxylamine
CID 77013717
1-cyclobutyloxy-4-propylbenzene
CID 178141621
2-(4-cyclopentyloxyphenyl)-N'-hydroxyethanimidamide
CID 24704646
3-(4-cyclopentyloxyphenyl)propanehydrazide
CID 164513639
(NZ)-N-[4-(4-phenoxyphenyl)butan-2-ylidene]hydroxylamine
CID 21296282
3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine
CID 95449970
2-[(4-cyclohexyloxyphenyl)methyl]guanidine
CID 110917755
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
CID 43279731
4-[4-(oxan-4-yloxy)phenyl]butan-2-one
CID 63937035
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
3-(4-cyclopentyloxyphenyl)propanenitrile
CID 82471335

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine (CID 43093796) is (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine is C/C(CCc1ccc(OC2CCCCC2)cc1)=N\O.
What is the InChIKey of (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine?
The InChIKey is MIHRXTNJKHVBCY-GHRIWEEISA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(17-18)7-8-14-9-11-16(12-10-14)19-15-5-3-2-4-6-15/h9-12,15,18H,2-8H2,1H3/b17-13+.
What are the key properties of (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine?
(NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine has a molecular weight of 261.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-(4-cyclohexyloxyphenyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 43093796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).