N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine

C16H23N3O — CID 45379695

IUPACN-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine
SMILESCOCCNC1=NCCNC12CCc1ccccc1C2
InChIInChI=1S/C16H23N3O/c1-20-11-10-18-15-16(19-9-8-17-15)7-6-13-4-2-3-5-14(13)12-16/h2-5,19H,6-12H2,1H3,(H,17,18)
InChIKeyXICGUYRLXWIGMV-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.15
Rot. Bonds3

About N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine

N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine (PubChem CID 45379695) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine
PubChem CID45379695
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine
SMILESCOCCNC1=NCCNC12CCc1ccccc1C2
InChIInChI=1S/C16H23N3O/c1-20-11-10-18-15-16(19-9-8-17-15)7-6-13-4-2-3-5-14(13)12-16/h2-5,19H,6-12H2,1H3,(H,17,18)
InChIKeyXICGUYRLXWIGMV-UHFFFAOYSA-N
XLogP1.15
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine?
The IUPAC name of N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine (CID 45379695) is N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine?
The canonical SMILES for N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine is COCCNC1=NCCNC12CCc1ccccc1C2.
What is the InChIKey of N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine?
The InChIKey is XICGUYRLXWIGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-20-11-10-18-15-16(19-9-8-17-15)7-6-13-4-2-3-5-14(13)12-16/h2-5,19H,6-12H2,1H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine?
N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine has a molecular weight of 273.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)spiro[2,3-dihydro-1H-pyrazine-6,3'-2,4-dihydro-1H-naphthalene]-5-amine is sourced from PubChem (CID 45379695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).