N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide

C15H24N2O — CID 87475199

IUPACN,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide
SMILESON(/C=N/C12CCC(CC1)C2)C12CCC(CC1)C2
InChIInChI=1S/C15H24N2O/c18-17(15-7-3-13(10-15)4-8-15)11-16-14-5-1-12(9-14)2-6-14/h11-13,18H,1-10H2/b16-11+
InChIKeyGYMZUUIJOLYCHZ-LFIBNONCSA-N
MW248.37 g/mol
LogP3.37
Rot. Bonds3

About N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide

N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide (PubChem CID 87475199) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide
PubChem CID87475199
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide
SMILESON(/C=N/C12CCC(CC1)C2)C12CCC(CC1)C2
InChIInChI=1S/C15H24N2O/c18-17(15-7-3-13(10-15)4-8-15)11-16-14-5-1-12(9-14)2-6-14/h11-13,18H,1-10H2/b16-11+
InChIKeyGYMZUUIJOLYCHZ-LFIBNONCSA-N
XLogP3.37
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide?
The IUPAC name of N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide (CID 87475199) is N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide?
The canonical SMILES for N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide is ON(/C=N/C12CCC(CC1)C2)C12CCC(CC1)C2.
What is the InChIKey of N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide?
The InChIKey is GYMZUUIJOLYCHZ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H24N2O/c18-17(15-7-3-13(10-15)4-8-15)11-16-14-5-1-12(9-14)2-6-14/h11-13,18H,1-10H2/b16-11+.
What are the key properties of N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide?
N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide has a molecular weight of 248.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-bicyclo[2.2.1]heptanyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 87475199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).