(NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine

C8H16N2O — CID 7340156

IUPAC(NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine
SMILESC[C@@H]1CN(C)[C@H](C)C/C1=N\O
InChIInChI=1S/C8H16N2O/c1-6-5-10(3)7(2)4-8(6)9-11/h6-7,11H,4-5H2,1-3H3/b9-8+/t6-,7-/m1/s1
InChIKeyONKISBIHPDPWJL-GEWYRVSKSA-N
MW156.23 g/mol
LogP1.18
Rot. Bonds

About (NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine

(NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine (PubChem CID 7340156) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine
PubChem CID7340156
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine
SMILESC[C@@H]1CN(C)[C@H](C)C/C1=N\O
InChIInChI=1S/C8H16N2O/c1-6-5-10(3)7(2)4-8(6)9-11/h6-7,11H,4-5H2,1-3H3/b9-8+/t6-,7-/m1/s1
InChIKeyONKISBIHPDPWJL-GEWYRVSKSA-N
XLogP1.18
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.18
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 (NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine (CID 7340156) is (NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine is C[C@@H]1CN(C)[C@H](C)C/C1=N\O.
What is the InChIKey of (NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is ONKISBIHPDPWJL-GEWYRVSKSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-5-10(3)7(2)4-8(6)9-11/h6-7,11H,4-5H2,1-3H3/b9-8+/t6-,7-/m1/s1.
What are the key properties of (NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine?
(NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 156.23 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 7340156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).