N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine

C7H18N2O2 — CID 122513613

IUPACN-[7-(hydroxyamino)heptan-3-yl]hydroxylamine
SMILESCCC(CCCCNO)NO
InChIInChI=1S/C7H18N2O2/c1-2-7(9-11)5-3-4-6-8-10/h7-11H,2-6H2,1H3
InChIKeyVVBBUMMFMLFCMD-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.89
Rot. Bonds7

About N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine

N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine (PubChem CID 122513613) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-[7-(hydroxyamino)heptan-3-yl]hydroxylamine
PubChem CID122513613
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC NameN-[7-(hydroxyamino)heptan-3-yl]hydroxylamine
SMILESCCC(CCCCNO)NO
InChIInChI=1S/C7H18N2O2/c1-2-7(9-11)5-3-4-6-8-10/h7-11H,2-6H2,1H3
InChIKeyVVBBUMMFMLFCMD-UHFFFAOYSA-N
XLogP0.89
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[7-(hydroxyamino)heptan-3-yl]hydroxylamine?
The IUPAC name of N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine (CID 122513613) is N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine.
What is the SMILES notation for N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine?
The canonical SMILES for N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine is CCC(CCCCNO)NO.
What is the InChIKey of N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine?
The InChIKey is VVBBUMMFMLFCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-2-7(9-11)5-3-4-6-8-10/h7-11H,2-6H2,1H3.
What are the key properties of N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine?
N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine has a molecular weight of 162.23 g/mol, XLogP of 0.89, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)heptan-3-yl]hydroxylamine is sourced from PubChem (CID 122513613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).