N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride

C8H15ClN2O — CID 56737749

IUPACN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride
SMILESCN1[C@@H]2CC[C@H]1C/C(=N\O)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/b9-6-;/t7-,8+;/m1./s1
InChIKeyXEGNNKBCZMXBOA-KKQIHCRRSA-N
MW190.67 g/mol
LogP1.50
Rot. Bonds

About N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride

N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride (PubChem CID 56737749) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride
PubChem CID56737749
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC NameN-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride
SMILESCN1[C@@H]2CC[C@H]1C/C(=N\O)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/b9-6-;/t7-,8+;/m1./s1
InChIKeyXEGNNKBCZMXBOA-KKQIHCRRSA-N
XLogP1.50
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.50
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-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride (CID 56737749) is N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride is CN1[C@@H]2CC[C@H]1C/C(=N\O)C2.Cl.
What is the InChIKey of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride?
The InChIKey is XEGNNKBCZMXBOA-KKQIHCRRSA-N. 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/b9-6-;/t7-,8+;/m1./s1.
What are the key properties of N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride?
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 56737749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).