N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide

C14H21N3O2 — CID 59104007

IUPACN'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(OCC2CCCCCC2)nc1
InChIInChI=1S/C14H21N3O2/c18-17-11-16-13-7-8-14(15-9-13)19-10-12-5-3-1-2-4-6-12/h7-9,11-12,18H,1-6,10H2,(H,16,17)
InChIKeyZQDWDOWEQDFEKX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.07
Rot. Bonds5

About N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide

N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide (PubChem CID 59104007) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide
PubChem CID59104007
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(OCC2CCCCCC2)nc1
InChIInChI=1S/C14H21N3O2/c18-17-11-16-13-7-8-14(15-9-13)19-10-12-5-3-1-2-4-6-12/h7-9,11-12,18H,1-6,10H2,(H,16,17)
InChIKeyZQDWDOWEQDFEKX-UHFFFAOYSA-N
XLogP3.07
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide (CID 59104007) is N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide is ON/C=N/c1ccc(OCC2CCCCCC2)nc1.
What is the InChIKey of N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide?
The InChIKey is ZQDWDOWEQDFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-17-11-16-13-7-8-14(15-9-13)19-10-12-5-3-1-2-4-6-12/h7-9,11-12,18H,1-6,10H2,(H,16,17).
What are the key properties of N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide?
N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide has a molecular weight of 263.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(cycloheptylmethoxy)-3-pyridinyl]-N-hydroxymethanimidamide is sourced from PubChem (CID 59104007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).