ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate

C15H24N2O2 — CID 171805438

IUPACethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate
SMILESCC.CCNc1ccc(C)cc1C#N.CCOC=O
InChIInChI=1S/C10H12N2.C3H6O2.C2H6/c1-3-12-10-5-4-8(2)6-9(10)7-11;1-2-5-3-4;1-2/h4-6,12H,3H2,1-2H3;3H,2H2,1H3;1-2H3
InChIKeyGAENFRPMWLYYJL-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.50
Rot. Bonds4

About ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate

ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate (PubChem CID 171805438) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate.

Molecular Properties

Compound Nameethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate
PubChem CID171805438
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate
SMILESCC.CCNc1ccc(C)cc1C#N.CCOC=O
InChIInChI=1S/C10H12N2.C3H6O2.C2H6/c1-3-12-10-5-4-8(2)6-9(10)7-11;1-2-5-3-4;1-2/h4-6,12H,3H2,1-2H3;3H,2H2,1H3;1-2H3
InChIKeyGAENFRPMWLYYJL-UHFFFAOYSA-N
XLogP3.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate?
The IUPAC name of ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate (CID 171805438) is ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate.
What is the SMILES notation for ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate?
The canonical SMILES for ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate is CC.CCNc1ccc(C)cc1C#N.CCOC=O.
What is the InChIKey of ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate?
The InChIKey is GAENFRPMWLYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C3H6O2.C2H6/c1-3-12-10-5-4-8(2)6-9(10)7-11;1-2-5-3-4;1-2/h4-6,12H,3H2,1-2H3;3H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate?
ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate has a molecular weight of 264.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethylamino)-5-methylbenzonitrile;ethyl formate is sourced from PubChem (CID 171805438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).