(NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine

C10H17NO — CID 5459185

IUPAC(NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine
SMILESCC(C)=CCC/C(C)=C/C=N\O
InChIInChI=1S/C10H17NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,7-8,12H,4,6H2,1-3H3/b10-7+,11-8-
InChIKeyLXFKDMGMYAHNAQ-WAKDDQPJSA-N
MW167.25 g/mol
LogP3.14
Rot. Bonds4

About (NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine

(NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine (PubChem CID 5459185) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine
PubChem CID5459185
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine
SMILESCC(C)=CCC/C(C)=C/C=N\O
InChIInChI=1S/C10H17NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,7-8,12H,4,6H2,1-3H3/b10-7+,11-8-
InChIKeyLXFKDMGMYAHNAQ-WAKDDQPJSA-N
XLogP3.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 53.14
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 (NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine (CID 5459185) is (NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine is CC(C)=CCC/C(C)=C/C=N\O.
What is the InChIKey of (NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine?
The InChIKey is LXFKDMGMYAHNAQ-WAKDDQPJSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,7-8,12H,4,6H2,1-3H3/b10-7+,11-8-.
What are the key properties of (NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine?
(NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine has a molecular weight of 167.25 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2E)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine is sourced from PubChem (CID 5459185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).