(NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine

C10H19NO — CID 71608065

IUPAC(NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine
SMILESCC(C)=CCC[C@@H](C)C/C=N/O
InChIInChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,8,10,12H,4,6-7H2,1-3H3/b11-8+/t10-/m1/s1
InChIKeyJUCCIEVMICHZPK-MXBGMFSPSA-N
MW169.27 g/mol
LogP3.22
Rot. Bonds5

About (NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine

(NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine (PubChem CID 71608065) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine
PubChem CID71608065
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine
SMILESCC(C)=CCC[C@@H](C)C/C=N/O
InChIInChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,8,10,12H,4,6-7H2,1-3H3/b11-8+/t10-/m1/s1
InChIKeyJUCCIEVMICHZPK-MXBGMFSPSA-N
XLogP3.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.22
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-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine (CID 71608065) is (NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine is CC(C)=CCC[C@@H](C)C/C=N/O.
What is the InChIKey of (NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine?
The InChIKey is JUCCIEVMICHZPK-MXBGMFSPSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)5-4-6-10(3)7-8-11-12/h5,8,10,12H,4,6-7H2,1-3H3/b11-8+/t10-/m1/s1.
What are the key properties of (NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine?
(NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine has a molecular weight of 169.27 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3R)-3,7-dimethyloct-6-enylidene]hydroxylamine is sourced from PubChem (CID 71608065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).