(NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine

C20H29NO — CID 7346893

IUPAC(NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine
SMILESCCC12CCC(CCc3ccc(/C(C)=N/O)cc3)(CC1)CC2
InChIInChI=1S/C20H29NO/c1-3-19-10-13-20(14-11-19,15-12-19)9-8-17-4-6-18(7-5-17)16(2)21-22/h4-7,22H,3,8-15H2,1-2H3/b21-16+
InChIKeySJCATKZPHHXSFT-LTGZKZEYSA-N
MW299.46 g/mol
LogP5.57
Rot. Bonds5

About (NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine (PubChem CID 7346893) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine
PubChem CID7346893
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine
SMILESCCC12CCC(CCc3ccc(/C(C)=N/O)cc3)(CC1)CC2
InChIInChI=1S/C20H29NO/c1-3-19-10-13-20(14-11-19,15-12-19)9-8-17-4-6-18(7-5-17)16(2)21-22/h4-7,22H,3,8-15H2,1-2H3/b21-16+
InChIKeySJCATKZPHHXSFT-LTGZKZEYSA-N
XLogP5.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine (CID 7346893) is (NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine is CCC12CCC(CCc3ccc(/C(C)=N/O)cc3)(CC1)CC2.
What is the InChIKey of (NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine?
The InChIKey is SJCATKZPHHXSFT-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H29NO/c1-3-19-10-13-20(14-11-19,15-12-19)9-8-17-4-6-18(7-5-17)16(2)21-22/h4-7,22H,3,8-15H2,1-2H3/b21-16+.
What are the key properties of (NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine has a molecular weight of 299.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-[2-(4-ethyl-1-bicyclo[2.2.2]octanyl)ethyl]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 7346893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).