azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride

C8H20ClN3O — CID 139913522

IUPACazane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride
SMILESCN1C2CCC1CC(NO)C2.Cl.N
InChIInChI=1S/C8H16N2O.ClH.H3N/c1-10-7-2-3-8(10)5-6(4-7)9-11;;/h6-9,11H,2-5H2,1H3;1H;1H3
InChIKeySANCYOMTUZHZOB-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.17
Rot. Bonds1

About azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride

azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride (PubChem CID 139913522) has the molecular formula C8H20ClN3O and a molecular weight of 209.72 g/mol. Its IUPAC name is azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride.

Molecular Properties

Compound Nameazane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride
PubChem CID139913522
Molecular FormulaC8H20ClN3O
Molecular Weight209.72 g/mol
Exact Mass209.13
IUPAC Nameazane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride
SMILESCN1C2CCC1CC(NO)C2.Cl.N
InChIInChI=1S/C8H16N2O.ClH.H3N/c1-10-7-2-3-8(10)5-6(4-7)9-11;;/h6-9,11H,2-5H2,1H3;1H;1H3
InChIKeySANCYOMTUZHZOB-UHFFFAOYSA-N
XLogP1.17
TPSA70.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride?
The IUPAC name of azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride (CID 139913522) is azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride.
What is the SMILES notation for azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride?
The canonical SMILES for azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride is CN1C2CCC1CC(NO)C2.Cl.N.
What is the InChIKey of azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride?
The InChIKey is SANCYOMTUZHZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH.H3N/c1-10-7-2-3-8(10)5-6(4-7)9-11;;/h6-9,11H,2-5H2,1H3;1H;1H3.
What are the key properties of azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride?
azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hydroxylamine;hydrochloride is sourced from PubChem (CID 139913522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).