(NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine

C15H28N2O — CID 88743404

IUPAC(NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine
SMILESCCNCC/C=C/CC/C=C/CC(C)(C)/C=N/O
InChIInChI=1S/C15H28N2O/c1-4-16-13-11-9-7-5-6-8-10-12-15(2,3)14-17-18/h7-10,14,16,18H,4-6,11-13H2,1-3H3/b9-7+,10-8+,17-14+
InChIKeyQRWHIRJDLUKOIT-SRJONFNDSA-N
MW252.40 g/mol
LogP3.75
Rot. Bonds10

About (NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine

(NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine (PubChem CID 88743404) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine
PubChem CID88743404
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine
SMILESCCNCC/C=C/CC/C=C/CC(C)(C)/C=N/O
InChIInChI=1S/C15H28N2O/c1-4-16-13-11-9-7-5-6-8-10-12-15(2,3)14-17-18/h7-10,14,16,18H,4-6,11-13H2,1-3H3/b9-7+,10-8+,17-14+
InChIKeyQRWHIRJDLUKOIT-SRJONFNDSA-N
XLogP3.75
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.75
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine (CID 88743404) is (NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine is CCNCC/C=C/CC/C=C/CC(C)(C)/C=N/O.
What is the InChIKey of (NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine?
The InChIKey is QRWHIRJDLUKOIT-SRJONFNDSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-16-13-11-9-7-5-6-8-10-12-15(2,3)14-17-18/h7-10,14,16,18H,4-6,11-13H2,1-3H3/b9-7+,10-8+,17-14+.
What are the key properties of (NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine?
(NE)-N-[(4E,8E)-11-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine has a molecular weight of 252.40 g/mol, XLogP of 3.75, 10 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-(ethylamino)-2,2-dimethylundeca-4,8-dienylidene]hydroxylamine is sourced from PubChem (CID 88743404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).