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

C8H14N2O — CID 11873076

IUPACN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
SMILESCN1[C@@H]2CC[C@H]1C/C(=N\O)C2
InChIInChI=1S/C8H14N2O/c1-10-7-2-3-8(10)5-6(4-7)9-11/h7-8,11H,2-5H2,1H3/b9-6-/t7-,8+/m1/s1
InChIKeyQOAKBKOUXFNSEM-JESIJGHFSA-N
MW154.21 g/mol
LogP1.07
Rot. Bonds

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

N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine (PubChem CID 11873076) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
PubChem CID11873076
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine
SMILESCN1[C@@H]2CC[C@H]1C/C(=N\O)C2
InChIInChI=1S/C8H14N2O/c1-10-7-2-3-8(10)5-6(4-7)9-11/h7-8,11H,2-5H2,1H3/b9-6-/t7-,8+/m1/s1
InChIKeyQOAKBKOUXFNSEM-JESIJGHFSA-N
XLogP1.07
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.07
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-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
The IUPAC name of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine (CID 11873076) is N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine is CN1[C@@H]2CC[C@H]1C/C(=N\O)C2.
What is the InChIKey of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
The InChIKey is QOAKBKOUXFNSEM-JESIJGHFSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-7-2-3-8(10)5-6(4-7)9-11/h7-8,11H,2-5H2,1H3/b9-6-/t7-,8+/m1/s1.
What are the key properties of N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine?
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine has a molecular weight of 154.21 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine is sourced from PubChem (CID 11873076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).