N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine

C10H18N2O — CID 163465970

IUPACN-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine
SMILESC=C(/C=C/C(CC)CN)CC=NO
InChIInChI=1S/C10H18N2O/c1-3-10(8-11)5-4-9(2)6-7-12-13/h4-5,7,10,13H,2-3,6,8,11H2,1H3/b5-4+,12-7?
InChIKeyKIZDVOIWNMGZHQ-LECZDAOFSA-N
MW182.27 g/mol
LogP1.93
Rot. Bonds6

About N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine

N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine (PubChem CID 163465970) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine
PubChem CID163465970
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine
SMILESC=C(/C=C/C(CC)CN)CC=NO
InChIInChI=1S/C10H18N2O/c1-3-10(8-11)5-4-9(2)6-7-12-13/h4-5,7,10,13H,2-3,6,8,11H2,1H3/b5-4+,12-7?
InChIKeyKIZDVOIWNMGZHQ-LECZDAOFSA-N
XLogP1.93
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine?
The IUPAC name of N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine (CID 163465970) is N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine.
What is the SMILES notation for N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine?
The canonical SMILES for N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine is C=C(/C=C/C(CC)CN)CC=NO.
What is the InChIKey of N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine?
The InChIKey is KIZDVOIWNMGZHQ-LECZDAOFSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-10(8-11)5-4-9(2)6-7-12-13/h4-5,7,10,13H,2-3,6,8,11H2,1H3/b5-4+,12-7?.
What are the key properties of N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine?
N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine has a molecular weight of 182.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6-(aminomethyl)-3-methylideneoct-4-enylidene]hydroxylamine is sourced from PubChem (CID 163465970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).