N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide

C14H22N4O2 — CID 126819906

IUPACN'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide
SMILESNC(=NOCCOC1CCCCCC1)c1cnccn1
InChIInChI=1S/C14H22N4O2/c15-14(13-11-16-7-8-17-13)18-20-10-9-19-12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H2,15,18)
InChIKeyMSODBSYFZNSHNM-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.85
Rot. Bonds6

About N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide

N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide (PubChem CID 126819906) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide
PubChem CID126819906
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide
SMILESNC(=NOCCOC1CCCCCC1)c1cnccn1
InChIInChI=1S/C14H22N4O2/c15-14(13-11-16-7-8-17-13)18-20-10-9-19-12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H2,15,18)
InChIKeyMSODBSYFZNSHNM-UHFFFAOYSA-N
XLogP1.85
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide?
The IUPAC name of N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide (CID 126819906) is N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide?
The canonical SMILES for N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide is NC(=NOCCOC1CCCCCC1)c1cnccn1.
What is the InChIKey of N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide?
The InChIKey is MSODBSYFZNSHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-14(13-11-16-7-8-17-13)18-20-10-9-19-12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H2,15,18).
What are the key properties of N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide?
N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 126819906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).