(NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine

C12H24N2O — CID 134933443

IUPAC(NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine
SMILESCC/C(=N\O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C12H24N2O/c1-4-11(13-15)12(3,5-2)14-9-7-6-8-10-14/h15H,4-10H2,1-3H3/b13-11+
InChIKeyPBIWNYDWJXAPEM-ACCUITESSA-N
MW212.34 g/mol
LogP2.88
Rot. Bonds4

About (NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine

(NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine (PubChem CID 134933443) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine
PubChem CID134933443
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine
SMILESCC/C(=N\O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C12H24N2O/c1-4-11(13-15)12(3,5-2)14-9-7-6-8-10-14/h15H,4-10H2,1-3H3/b13-11+
InChIKeyPBIWNYDWJXAPEM-ACCUITESSA-N
XLogP2.88
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.88
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-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine (CID 134933443) is (NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine is CC/C(=N\O)C(C)(CC)N1CCCCC1.
What is the InChIKey of (NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine?
The InChIKey is PBIWNYDWJXAPEM-ACCUITESSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-11(13-15)12(3,5-2)14-9-7-6-8-10-14/h15H,4-10H2,1-3H3/b13-11+.
What are the key properties of (NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine?
(NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine has a molecular weight of 212.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(4-methyl-4-piperidin-1-ylhexan-3-ylidene)hydroxylamine is sourced from PubChem (CID 134933443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).