6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane

C16H20N2O — CID 176951774

IUPAC6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane
SMILESCC.CCc1cc(N)cc2ccc(C#N)c(OC)c12
InChIInChI=1S/C14H14N2O.C2H6/c1-3-9-6-12(16)7-10-4-5-11(8-15)14(17-2)13(9)10;1-2/h4-7H,3,16H2,1-2H3;1-2H3
InChIKeyMIMRGCHFADKUGD-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.89
Rot. Bonds2

About 6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane

6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane (PubChem CID 176951774) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane.

Molecular Properties

Compound Name6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane
PubChem CID176951774
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane
SMILESCC.CCc1cc(N)cc2ccc(C#N)c(OC)c12
InChIInChI=1S/C14H14N2O.C2H6/c1-3-9-6-12(16)7-10-4-5-11(8-15)14(17-2)13(9)10;1-2/h4-7H,3,16H2,1-2H3;1-2H3
InChIKeyMIMRGCHFADKUGD-UHFFFAOYSA-N
XLogP3.89
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane?
The IUPAC name of 6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane (CID 176951774) is 6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane.
What is the SMILES notation for 6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane?
The canonical SMILES for 6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane is CC.CCc1cc(N)cc2ccc(C#N)c(OC)c12.
What is the InChIKey of 6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane?
The InChIKey is MIMRGCHFADKUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.C2H6/c1-3-9-6-12(16)7-10-4-5-11(8-15)14(17-2)13(9)10;1-2/h4-7H,3,16H2,1-2H3;1-2H3.
What are the key properties of 6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane?
6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane has a molecular weight of 256.35 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-ethyl-1-methoxynaphthalene-2-carbonitrile;ethane is sourced from PubChem (CID 176951774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).