N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide

C15H27IN2O — CID 2828558

IUPACN-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide
SMILESC[N+]1(C2CCC3CCCC2C3=NO)CCCCC1.[I-]
InChIInChI=1S/C15H26N2O.HI/c1-17(10-3-2-4-11-17)14-9-8-12-6-5-7-13(14)15(12)16-18;/h12-14H,2-11H2,1H3;1H
InChIKeyONBNTHIMVXXLND-UHFFFAOYSA-N
MW378.30 g/mol
LogP0.03
Rot. Bonds1

About N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide

N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide (PubChem CID 2828558) has the molecular formula C15H27IN2O and a molecular weight of 378.30 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide
PubChem CID2828558
Molecular FormulaC15H27IN2O
Molecular Weight378.30 g/mol
Exact Mass378.12
IUPAC NameN-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide
SMILESC[N+]1(C2CCC3CCCC2C3=NO)CCCCC1.[I-]
InChIInChI=1S/C15H26N2O.HI/c1-17(10-3-2-4-11-17)14-9-8-12-6-5-7-13(14)15(12)16-18;/h12-14H,2-11H2,1H3;1H
InChIKeyONBNTHIMVXXLND-UHFFFAOYSA-N
XLogP0.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide?
The IUPAC name of N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide (CID 2828558) is N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide.
What is the SMILES notation for N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide?
The canonical SMILES for N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide is C[N+]1(C2CCC3CCCC2C3=NO)CCCCC1.[I-].
What is the InChIKey of N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide?
The InChIKey is ONBNTHIMVXXLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.HI/c1-17(10-3-2-4-11-17)14-9-8-12-6-5-7-13(14)15(12)16-18;/h12-14H,2-11H2,1H3;1H.
What are the key properties of N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide?
N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide has a molecular weight of 378.30 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-1-ium-1-yl)-9-bicyclo[3.3.1]nonanylidene]hydroxylamine iodide is sourced from PubChem (CID 2828558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).