N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride

C8H14ClN2O- — CID 45108403

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride
SMILESCN1C2CCC1CC(=NO)C2.[Cl-]
InChIInChI=1S/C8H14N2O.ClH/c1-10-7-2-3-8(10)5-6(4-7)9-11;/h7-8,11H,2-5H2,1H3;1H/p-1
InChIKeyXEGNNKBCZMXBOA-UHFFFAOYSA-M
MW189.67 g/mol
LogP-1.92
Rot. Bonds

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride (PubChem CID 45108403) has the molecular formula C8H14ClN2O- and a molecular weight of 189.67 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride
PubChem CID45108403
Molecular FormulaC8H14ClN2O-
Molecular Weight189.67 g/mol
Exact Mass189.08
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride
SMILESCN1C2CCC1CC(=NO)C2.[Cl-]
InChIInChI=1S/C8H14N2O.ClH/c1-10-7-2-3-8(10)5-6(4-7)9-11;/h7-8,11H,2-5H2,1H3;1H/p-1
InChIKeyXEGNNKBCZMXBOA-UHFFFAOYSA-M
XLogP-1.92
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride (CID 45108403) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride is CN1C2CCC1CC(=NO)C2.[Cl-].
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride?
The InChIKey is XEGNNKBCZMXBOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14N2O.ClH/c1-10-7-2-3-8(10)5-6(4-7)9-11;/h7-8,11H,2-5H2,1H3;1H/p-1.
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride has a molecular weight of 189.67 g/mol, XLogP of -1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine chloride is sourced from PubChem (CID 45108403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).