(NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine

C14H26N2O — CID 88781933

IUPAC(NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine
SMILESCC(C)C(/C=N/O)C/C=C/CC/C=C/CCN
InChIInChI=1S/C14H26N2O/c1-13(2)14(12-16-17)10-8-6-4-3-5-7-9-11-15/h5-8,12-14,17H,3-4,9-11,15H2,1-2H3/b7-5+,8-6+,16-12+
InChIKeySWJAIWHHGNXVOI-NWGUBJHJSA-N
MW238.37 g/mol
LogP3.35
Rot. Bonds9

About (NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine

(NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine (PubChem CID 88781933) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine
PubChem CID88781933
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine
SMILESCC(C)C(/C=N/O)C/C=C/CC/C=C/CCN
InChIInChI=1S/C14H26N2O/c1-13(2)14(12-16-17)10-8-6-4-3-5-7-9-11-15/h5-8,12-14,17H,3-4,9-11,15H2,1-2H3/b7-5+,8-6+,16-12+
InChIKeySWJAIWHHGNXVOI-NWGUBJHJSA-N
XLogP3.35
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]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-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine (CID 88781933) is (NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine is CC(C)C(/C=N/O)C/C=C/CC/C=C/CCN.
What is the InChIKey of (NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine?
The InChIKey is SWJAIWHHGNXVOI-NWGUBJHJSA-N. The full InChI is InChI=1S/C14H26N2O/c1-13(2)14(12-16-17)10-8-6-4-3-5-7-9-11-15/h5-8,12-14,17H,3-4,9-11,15H2,1-2H3/b7-5+,8-6+,16-12+.
What are the key properties of (NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine?
(NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine has a molecular weight of 238.37 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4E,8E)-11-amino-2-propan-2-ylundeca-4,8-dienylidene]hydroxylamine is sourced from PubChem (CID 88781933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).