(NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine

C11H21NO2 — CID 13272513

IUPAC(NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine
SMILESCOCCC(CC=C(C)C)/C(C)=N/O
InChIInChI=1S/C11H21NO2/c1-9(2)5-6-11(7-8-14-4)10(3)12-13/h5,11,13H,6-8H2,1-4H3/b12-10+
InChIKeyVRVSKVOWNDFDEB-ZRDIBKRKSA-N
MW199.29 g/mol
LogP2.85
Rot. Bonds6

About (NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine

(NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine (PubChem CID 13272513) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine
PubChem CID13272513
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine
SMILESCOCCC(CC=C(C)C)/C(C)=N/O
InChIInChI=1S/C11H21NO2/c1-9(2)5-6-11(7-8-14-4)10(3)12-13/h5,11,13H,6-8H2,1-4H3/b12-10+
InChIKeyVRVSKVOWNDFDEB-ZRDIBKRKSA-N
XLogP2.85
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine (CID 13272513) is (NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine is COCCC(CC=C(C)C)/C(C)=N/O.
What is the InChIKey of (NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine?
The InChIKey is VRVSKVOWNDFDEB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)5-6-11(7-8-14-4)10(3)12-13/h5,11,13H,6-8H2,1-4H3/b12-10+.
What are the key properties of (NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine?
(NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine has a molecular weight of 199.29 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-(2-methoxyethyl)-6-methylhept-5-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 13272513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).