N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine

C13H23NO — CID 5310845

IUPACN-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine
SMILESCC(C)=CCC/C(C)=C/CCC(C)=NO
InChIInChI=1S/C13H23NO/c1-11(2)7-5-8-12(3)9-6-10-13(4)14-15/h7,9,15H,5-6,8,10H2,1-4H3/b12-9+,14-13?
InChIKeyBFBMAYWZMKDZFY-VCZNZXRHSA-N
MW209.33 g/mol
LogP4.31
Rot. Bonds6

About N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine

N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine (PubChem CID 5310845) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine
PubChem CID5310845
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine
SMILESCC(C)=CCC/C(C)=C/CCC(C)=NO
InChIInChI=1S/C13H23NO/c1-11(2)7-5-8-12(3)9-6-10-13(4)14-15/h7,9,15H,5-6,8,10H2,1-4H3/b12-9+,14-13?
InChIKeyBFBMAYWZMKDZFY-VCZNZXRHSA-N
XLogP4.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.31
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 N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine?
The IUPAC name of N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine (CID 5310845) is N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine?
The canonical SMILES for N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine is CC(C)=CCC/C(C)=C/CCC(C)=NO.
What is the InChIKey of N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine?
The InChIKey is BFBMAYWZMKDZFY-VCZNZXRHSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)7-5-8-12(3)9-6-10-13(4)14-15/h7,9,15H,5-6,8,10H2,1-4H3/b12-9+,14-13?.
What are the key properties of N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine?
N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine has a molecular weight of 209.33 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydroxylamine is sourced from PubChem (CID 5310845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).