(NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine

C9H17NO — CID 11019093

IUPAC(NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine
SMILESCC(C)=CCCC(C)/C=N/O
InChIInChI=1S/C9H17NO/c1-8(2)5-4-6-9(3)7-10-11/h5,7,9,11H,4,6H2,1-3H3/b10-7+
InChIKeyFGXYSBZCVIMBMS-JXMROGBWSA-N
MW155.24 g/mol
LogP2.83
Rot. Bonds4

About (NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine

(NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine (PubChem CID 11019093) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine
PubChem CID11019093
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine
SMILESCC(C)=CCCC(C)/C=N/O
InChIInChI=1S/C9H17NO/c1-8(2)5-4-6-9(3)7-10-11/h5,7,9,11H,4,6H2,1-3H3/b10-7+
InChIKeyFGXYSBZCVIMBMS-JXMROGBWSA-N
XLogP2.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2,6-dimethylhept-5-enylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine (CID 11019093) is (NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine is CC(C)=CCCC(C)/C=N/O.
What is the InChIKey of (NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine?
The InChIKey is FGXYSBZCVIMBMS-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)5-4-6-9(3)7-10-11/h5,7,9,11H,4,6H2,1-3H3/b10-7+.
What are the key properties of (NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine?
(NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine has a molecular weight of 155.24 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,6-dimethylhept-5-enylidene)hydroxylamine is sourced from PubChem (CID 11019093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).